4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide

C13H13N5OS2 — CID 71797383

IUPAC4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C)n1
InChIInChI=1S/C13H13N5OS2/c1-8-12(21-17-15-8)13(19)14-7-9-6-10(18(2)16-9)11-4-3-5-20-11/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyFYGPFGSPUUGZJA-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.24
Rot. Bonds4

About 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide

4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 71797383) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
PubChem CID71797383
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C)n1
InChIInChI=1S/C13H13N5OS2/c1-8-12(21-17-15-8)13(19)14-7-9-6-10(18(2)16-9)11-4-3-5-20-11/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyFYGPFGSPUUGZJA-UHFFFAOYSA-N
XLogP2.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 71797450
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 71797381
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
CID 71797395
4-methyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 90569617
N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-9H-xanthene-9-carboxamide
CID 71797426
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide (CID 71797383) is 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C)n1.
What is the InChIKey of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is FYGPFGSPUUGZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-8-12(21-17-15-8)13(19)14-7-9-6-10(18(2)16-9)11-4-3-5-20-11/h3-6H,7H2,1-2H3,(H,14,19).
What are the key properties of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71797383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).