2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide

C13H19N3O2S — CID 39892122

IUPAC2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C13H19N3O2S/c1-9(17)15-13-16-11(8-19-13)12(18)14-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyMHMMRIQUWDRIAG-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.41
Rot. Bonds4

About 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 39892122) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID39892122
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C13H19N3O2S/c1-9(17)15-13-16-11(8-19-13)12(18)14-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyMHMMRIQUWDRIAG-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide (CID 39892122) is 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NCC2CCCCC2)cs1.
What is the InChIKey of 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MHMMRIQUWDRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(17)15-13-16-11(8-19-13)12(18)14-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39892122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).