N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide

C13H19ClN2OS — CID 65198822

IUPACN-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCl)C2CCCCC2)cs1
InChIInChI=1S/C13H19ClN2OS/c1-10-15-12(9-18-10)13(17)16(8-7-14)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyIWEVSPHLILISCB-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.47
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide

N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65198822) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65198822
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCl)C2CCCCC2)cs1
InChIInChI=1S/C13H19ClN2OS/c1-10-15-12(9-18-10)13(17)16(8-7-14)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyIWEVSPHLILISCB-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide (CID 65198822) is N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCCl)C2CCCCC2)cs1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IWEVSPHLILISCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10-15-12(9-18-10)13(17)16(8-7-14)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65198822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).