4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C16H17N5OS2 — CID 53369542

IUPAC4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C16H17N5OS2/c1-9(2)8-12-20-21-16(23-12)19-14(22)13-10(3)18-15(24-13)11-4-6-17-7-5-11/h4-7,9H,8H2,1-3H3,(H,19,21,22)
InChIKeyIWESUZBTPWALAP-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.82
Rot. Bonds5

About 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 53369542) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID53369542
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C16H17N5OS2/c1-9(2)8-12-20-21-16(23-12)19-14(22)13-10(3)18-15(24-13)11-4-6-17-7-5-11/h4-7,9H,8H2,1-3H3,(H,19,21,22)
InChIKeyIWESUZBTPWALAP-UHFFFAOYSA-N
XLogP3.82
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 53369718
2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166256543
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26692755
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 56762857
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 53369542) is 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccncc2)sc1C(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IWESUZBTPWALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-9(2)8-12-20-21-16(23-12)19-14(22)13-10(3)18-15(24-13)11-4-6-17-7-5-11/h4-7,9H,8H2,1-3H3,(H,19,21,22).
What are the key properties of 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53369542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).