3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide

C16H20N4OS2 — CID 24971406

IUPAC3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1
InChIInChI=1S/C16H20N4OS2/c17-14(21)13-15(19-12-7-4-8-18-9-12)23-20-16(13)22-10-11-5-2-1-3-6-11/h4,7-9,11,19H,1-3,5-6,10H2,(H2,17,21)
InChIKeyNMUIYMCYQWYFCA-UHFFFAOYSA-N
MW348.50 g/mol
LogP4.05
Rot. Bonds6

About 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide

3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 24971406) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID24971406
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1
InChIInChI=1S/C16H20N4OS2/c17-14(21)13-15(19-12-7-4-8-18-9-12)23-20-16(13)22-10-11-5-2-1-3-6-11/h4,7-9,11,19H,1-3,5-6,10H2,(H2,17,21)
InChIKeyNMUIYMCYQWYFCA-UHFFFAOYSA-N
XLogP4.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide (CID 24971406) is 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide is NC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1.
What is the InChIKey of 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is NMUIYMCYQWYFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c17-14(21)13-15(19-12-7-4-8-18-9-12)23-20-16(13)22-10-11-5-2-1-3-6-11/h4,7-9,11,19H,1-3,5-6,10H2,(H2,17,21).
What are the key properties of 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide?
3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfanyl)-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 24971406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).