1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide

C17H19N3O3S — CID 95851771

IUPAC1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CN(C(=O)c3sc(C)nc3C)C2)c1
InChIInChI=1S/C17H19N3O3S/c1-10-15(24-11(2)18-10)17(22)20-8-12(9-20)16(21)19-13-5-4-6-14(7-13)23-3/h4-7,12H,8-9H2,1-3H3,(H,19,21)
InChIKeyLPHDRIDQFFBOHU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.48
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide

1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide (PubChem CID 95851771) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide
PubChem CID95851771
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CN(C(=O)c3sc(C)nc3C)C2)c1
InChIInChI=1S/C17H19N3O3S/c1-10-15(24-11(2)18-10)17(22)20-8-12(9-20)16(21)19-13-5-4-6-14(7-13)23-3/h4-7,12H,8-9H2,1-3H3,(H,19,21)
InChIKeyLPHDRIDQFFBOHU-UHFFFAOYSA-N
XLogP2.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868551
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160156
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
1-(3-chloro-2-methylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187530
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875982

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide (CID 95851771) is 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide is COc1cccc(NC(=O)C2CN(C(=O)c3sc(C)nc3C)C2)c1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide?
The InChIKey is LPHDRIDQFFBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-15(24-11(2)18-10)17(22)20-8-12(9-20)16(21)19-13-5-4-6-14(7-13)23-3/h4-7,12H,8-9H2,1-3H3,(H,19,21).
What are the key properties of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide?
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 95851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).