N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide

C16H16N4OS2 — CID 95616290

IUPACN-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3csnn3)s2)cc1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)16-18-11(3)14(23-16)10(2)17-15(21)13-8-22-20-19-13/h4-8,10H,1-3H3,(H,17,21)/t10-/m1/s1
InChIKeyQAUGOBAXDHQHAZ-SNVBAGLBSA-N
MW344.47 g/mol
LogP3.77
Rot. Bonds4

About N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide

N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide (PubChem CID 95616290) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide
PubChem CID95616290
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3csnn3)s2)cc1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)16-18-11(3)14(23-16)10(2)17-15(21)13-8-22-20-19-13/h4-8,10H,1-3H3,(H,17,21)/t10-/m1/s1
InChIKeyQAUGOBAXDHQHAZ-SNVBAGLBSA-N
XLogP3.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-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 N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide (CID 95616290) is N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide is Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3csnn3)s2)cc1.
What is the InChIKey of N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide?
The InChIKey is QAUGOBAXDHQHAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)16-18-11(3)14(23-16)10(2)17-15(21)13-8-22-20-19-13/h4-8,10H,1-3H3,(H,17,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide?
N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 95616290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).