N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide

C24H27N3OS — CID 10158193

IUPACN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)C3CCCCC3)c2)s1
InChIInChI=1S/C24H27N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,25,26,28)
InChIKeyVWLHLJROFSNQEA-UHFFFAOYSA-N
MW405.57 g/mol
LogP6.26
Rot. Bonds5

About N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 10158193) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide
PubChem CID10158193
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)C3CCCCC3)c2)s1
InChIInChI=1S/C24H27N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,25,26,28)
InChIKeyVWLHLJROFSNQEA-UHFFFAOYSA-N
XLogP6.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide (CID 10158193) is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)C3CCCCC3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is VWLHLJROFSNQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide?
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 405.57 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 10158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).