N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide

C14H21N3O2S — CID 857186

IUPACN-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCC(=O)Nc1nc(C)c(C(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H21N3O2S/c1-3-11(18)17-14-15-9(2)12(20-14)13(19)16-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyRRJYRLPUJGQLID-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.86
Rot. Bonds4

About N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide

N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 857186) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID857186
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCC(=O)Nc1nc(C)c(C(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H21N3O2S/c1-3-11(18)17-14-15-9(2)12(20-14)13(19)16-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyRRJYRLPUJGQLID-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide (CID 857186) is N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide is CCC(=O)Nc1nc(C)c(C(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RRJYRLPUJGQLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-11(18)17-14-15-9(2)12(20-14)13(19)16-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,16,19)(H,15,17,18).
What are the key properties of N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide?
N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 857186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).