2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide

C18H22N2O2S2 — CID 71870598

IUPAC2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)C3CCC(SC)C3)cs2)cc1
InChIInChI=1S/C18H22N2O2S2/c1-20(13-6-9-15(10-13)23-3)18(21)16-11-24-17(19-16)12-4-7-14(22-2)8-5-12/h4-5,7-8,11,13,15H,6,9-10H2,1-3H3
InChIKeySBLRPMORYFTBHL-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.17
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide (PubChem CID 71870598) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide
PubChem CID71870598
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)C3CCC(SC)C3)cs2)cc1
InChIInChI=1S/C18H22N2O2S2/c1-20(13-6-9-15(10-13)23-3)18(21)16-11-24-17(19-16)12-4-7-14(22-2)8-5-12/h4-5,7-8,11,13,15H,6,9-10H2,1-3H3
InChIKeySBLRPMORYFTBHL-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
2-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 9488367
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55666102

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide (CID 71870598) is 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(C)C3CCC(SC)C3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SBLRPMORYFTBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-20(13-6-9-15(10-13)23-3)18(21)16-11-24-17(19-16)12-4-7-14(22-2)8-5-12/h4-5,7-8,11,13,15H,6,9-10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71870598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).