N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide

C16H21ClN4OS — CID 155164770

IUPACN-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide
SMILESCC1(C(=O)Nc2nc(Cl)c(C3CCCCC3)s2)CC(NC#N)C1
InChIInChI=1S/C16H21ClN4OS/c1-16(7-11(8-16)19-9-18)14(22)21-15-20-13(17)12(23-15)10-5-3-2-4-6-10/h10-11,19H,2-8H2,1H3,(H,20,21,22)
InChIKeyVHAJVEUFIXWWSS-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.02
Rot. Bonds4

About N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide

N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide (PubChem CID 155164770) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide
PubChem CID155164770
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC NameN-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide
SMILESCC1(C(=O)Nc2nc(Cl)c(C3CCCCC3)s2)CC(NC#N)C1
InChIInChI=1S/C16H21ClN4OS/c1-16(7-11(8-16)19-9-18)14(22)21-15-20-13(17)12(23-15)10-5-3-2-4-6-10/h10-11,19H,2-8H2,1H3,(H,20,21,22)
InChIKeyVHAJVEUFIXWWSS-UHFFFAOYSA-N
XLogP4.02
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
CID 155164808
N-(5-tert-butyl-4-chloro-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide
CID 167110060
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 167109788
N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
CID 155164782
3-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)-1-methylcyclobutane-1-carboxamide
CID 159222013
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanomethyl)-1-fluoro-N-methylcyclobutane-1-carboxamide
CID 163560255
2-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)-1-methylcyclobutane-1-carboxamide
CID 162773608
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 138529996
3-(cyanoamino)-N-(7-cyclobutyloxy-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
CID 155164788
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 138530017

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide (CID 155164770) is N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide is CC1(C(=O)Nc2nc(Cl)c(C3CCCCC3)s2)CC(NC#N)C1.
What is the InChIKey of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide?
The InChIKey is VHAJVEUFIXWWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-16(7-11(8-16)19-9-18)14(22)21-15-20-13(17)12(23-15)10-5-3-2-4-6-10/h10-11,19H,2-8H2,1H3,(H,20,21,22).
What are the key properties of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide?
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide has a molecular weight of 352.89 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 155164770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).