N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H18N4OS2 — CID 9123372

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)s1
InChIInChI=1S/C14H18N4OS2/c1-8-11(20-9(2)15-8)12(19)16-14-18-17-13(21-14)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,16,18,19)
InChIKeyWUSMGUAIOWGOHD-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.91
Rot. Bonds3

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 9123372) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID9123372
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)s1
InChIInChI=1S/C14H18N4OS2/c1-8-11(20-9(2)15-8)12(19)16-14-18-17-13(21-14)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,16,18,19)
InChIKeyWUSMGUAIOWGOHD-UHFFFAOYSA-N
XLogP3.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-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-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 9123372) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WUSMGUAIOWGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-8-11(20-9(2)15-8)12(19)16-14-18-17-13(21-14)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,16,18,19).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9123372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).