5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide

C15H27N3OS — CID 80733470

IUPAC5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
SMILESCCCCCN(Cc1cc(C(=O)NN)sc1C)C(C)C
InChIInChI=1S/C15H27N3OS/c1-5-6-7-8-18(11(2)3)10-13-9-14(15(19)17-16)20-12(13)4/h9,11H,5-8,10,16H2,1-4H3,(H,17,19)
InChIKeyQZKCPHMFCYUQRO-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.06
Rot. Bonds8

About 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide

5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 80733470) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID80733470
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
SMILESCCCCCN(Cc1cc(C(=O)NN)sc1C)C(C)C
InChIInChI=1S/C15H27N3OS/c1-5-6-7-8-18(11(2)3)10-13-9-14(15(19)17-16)20-12(13)4/h9,11H,5-8,10,16H2,1-4H3,(H,17,19)
InChIKeyQZKCPHMFCYUQRO-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 80728058
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
CID 80734339
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
CID 80733732
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
CID 80734175
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 102873667
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
CID 80728158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide (CID 80733470) is 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide is CCCCCN(Cc1cc(C(=O)NN)sc1C)C(C)C.
What is the InChIKey of 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is QZKCPHMFCYUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-6-7-8-18(11(2)3)10-13-9-14(15(19)17-16)20-12(13)4/h9,11H,5-8,10,16H2,1-4H3,(H,17,19).
What are the key properties of 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 297.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).