2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide

C97H114F2N18O5S7 — CID 159216244

IUPAC2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide
SMILESCCN(C(=O)c1ccc(C)s1)N(C)c1ccncn1.CCNN(Cc1ccncc1)C(=O)c1ccc(C)s1.Cc1ccc(C(=O)N(C)Nc2cncnc2)s1.Cc1ccc(C(=O)NN(C)c2ccncc2)s1.Cc1ccc(C(=O)NNc2ccccn2)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1cccc(F)c1
InChIInChI=1S/C14H17N3OS.C13H16N4OS.C12H13N3OS.C11H12N4OS.C11H11N3OS.C9H14S.2C7H7F.C7H9N.C6H8S/c1-3-16-17(10-12-6-8-15-9-7-12)14(18)13-5-4-11(2)19-13;1-4-17(13(18)11-6-5-10(2)19-11)16(3)12-7-8-14-9-15-12;1-9-3-4-11(17-9)12(16)14-15(2)10-5-7-13-8-6-10;1-8-3-4-10(17-8)11(16)15(2)14-9-5-12-7-13-6-9;1-8-5-6-9(16-8)11(15)14-13-10-4-2-3-7-12-10;1-7-5-6-8(10-7)9(2,3)4;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5/h4-9,16H,3,10H2,1-2H3;5-9H,4H2,1-3H3;3-8H,1-2H3,(H,14,16);3-7,14H,1-2H3;2-7H,1H3,(H,12,13)(H,14,15);5-6H,1-4H3;2*2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyKRCKGWCERXPIAK-UHFFFAOYSA-N
MW1874.56 g/mol
LogP23.05
Rot. Bonds18

About 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide

2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide (PubChem CID 159216244) has the molecular formula C97H114F2N18O5S7 and a molecular weight of 1874.56 g/mol. Its IUPAC name is 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide
PubChem CID159216244
Molecular FormulaC97H114F2N18O5S7
Molecular Weight1874.56 g/mol
Exact Mass1872.72
IUPAC Name2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide
SMILESCCN(C(=O)c1ccc(C)s1)N(C)c1ccncn1.CCNN(Cc1ccncc1)C(=O)c1ccc(C)s1.Cc1ccc(C(=O)N(C)Nc2cncnc2)s1.Cc1ccc(C(=O)NN(C)c2ccncc2)s1.Cc1ccc(C(=O)NNc2ccccn2)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1cccc(F)c1
InChIInChI=1S/C14H17N3OS.C13H16N4OS.C12H13N3OS.C11H12N4OS.C11H11N3OS.C9H14S.2C7H7F.C7H9N.C6H8S/c1-3-16-17(10-12-6-8-15-9-7-12)14(18)13-5-4-11(2)19-13;1-4-17(13(18)11-6-5-10(2)19-11)16(3)12-7-8-14-9-15-12;1-9-3-4-11(17-9)12(16)14-15(2)10-5-7-13-8-6-10;1-8-3-4-10(17-8)11(16)15(2)14-9-5-12-7-13-6-9;1-8-5-6-9(16-8)11(15)14-13-10-4-2-3-7-12-10;1-7-5-6-8(10-7)9(2,3)4;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5/h4-9,16H,3,10H2,1-2H3;5-9H,4H2,1-3H3;3-8H,1-2H3,(H,14,16);3-7,14H,1-2H3;2-7H,1H3,(H,12,13)(H,14,15);5-6H,1-4H3;2*2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyKRCKGWCERXPIAK-UHFFFAOYSA-N
XLogP23.05
TPSA264.82 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.56
LogP ≤ 523.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
The IUPAC name of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide (CID 159216244) is 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
The canonical SMILES for 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide is CCN(C(=O)c1ccc(C)s1)N(C)c1ccncn1.CCNN(Cc1ccncc1)C(=O)c1ccc(C)s1.Cc1ccc(C(=O)N(C)Nc2cncnc2)s1.Cc1ccc(C(=O)NN(C)c2ccncc2)s1.Cc1ccc(C(=O)NNc2ccccn2)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1cccc(F)c1.
What is the InChIKey of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
The InChIKey is KRCKGWCERXPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.C13H16N4OS.C12H13N3OS.C11H12N4OS.C11H11N3OS.C9H14S.2C7H7F.C7H9N.C6H8S/c1-3-16-17(10-12-6-8-15-9-7-12)14(18)13-5-4-11(2)19-13;1-4-17(13(18)11-6-5-10(2)19-11)16(3)12-7-8-14-9-15-12;1-9-3-4-11(17-9)12(16)14-15(2)10-5-7-13-8-6-10;1-8-3-4-10(17-8)11(16)15(2)14-9-5-12-7-13-6-9;1-8-5-6-9(16-8)11(15)14-13-10-4-2-3-7-12-10;1-7-5-6-8(10-7)9(2,3)4;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5/h4-9,16H,3,10H2,1-2H3;5-9H,4H2,1-3H3;3-8H,1-2H3,(H,14,16);3-7,14H,1-2H3;2-7H,1H3,(H,12,13)(H,14,15);5-6H,1-4H3;2*2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide has a molecular weight of 1874.56 g/mol, XLogP of 23.05, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;N',5-dimethyl-N'-pyridin-4-ylthiophene-2-carbohydrazide;N,5-dimethyl-N'-pyrimidin-5-ylthiophene-2-carbohydrazide;2,5-dimethylthiophene;N-ethyl-N',5-dimethyl-N'-pyrimidin-4-ylthiophene-2-carbohydrazide;N'-ethyl-5-methyl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-methyl-N'-pyridin-2-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 159216244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).