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

C24H27N3OS — CID 68831528

IUPACN-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(C3(NC(C)=O)CCCC3)c2)s1
InChIInChI=1S/C24H27N3OS/c1-4-21-26-22(18-9-7-8-16(2)14-18)23(29-21)19-10-13-25-20(15-19)24(27-17(3)28)11-5-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,28)
InChIKeyOXUOAIUTMGMAOB-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.65
Rot. Bonds5

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

N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide (PubChem CID 68831528) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide
PubChem CID68831528
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(C3(NC(C)=O)CCCC3)c2)s1
InChIInChI=1S/C24H27N3OS/c1-4-21-26-22(18-9-7-8-16(2)14-18)23(29-21)19-10-13-25-20(15-19)24(27-17(3)28)11-5-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,28)
InChIKeyOXUOAIUTMGMAOB-UHFFFAOYSA-N
XLogP5.65
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 ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063
2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 11710028
dicyclohexyl-[[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino]-oxo-λ6-sulfane
CID 23725496
4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 10294370
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
CID 10113346
N-[4-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]-2-pyridinyl]propanamide
CID 57349391
methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 123763604
N-[[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 90686694
4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 11536681
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076
N-[5-(2,6-dimethyl-4-pyridinyl)-4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 53432163
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole
CID 22932739

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide?
The IUPAC name of N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide (CID 68831528) is N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide?
The canonical SMILES for N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(C3(NC(C)=O)CCCC3)c2)s1.
What is the InChIKey of N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide?
The InChIKey is OXUOAIUTMGMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-4-21-26-22(18-9-7-8-16(2)14-18)23(29-21)19-10-13-25-20(15-19)24(27-17(3)28)11-5-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,28).
What are the key properties of N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide?
N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide has a molecular weight of 405.57 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide is sourced from PubChem (CID 68831528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).