2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C16H15N3O2S2 — CID 96562479

IUPAC2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)N[C@H](C)c3nccs3)s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10(15-17-7-8-22-15)19-14(20)13-9-18-16(23-13)11-3-5-12(21-2)6-4-11/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyIEWYCEACOTXJSD-SNVBAGLBSA-N
MW345.45 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 96562479) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID96562479
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)N[C@H](C)c3nccs3)s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10(15-17-7-8-22-15)19-14(20)13-9-18-16(23-13)11-3-5-12(21-2)6-4-11/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyIEWYCEACOTXJSD-SNVBAGLBSA-N
XLogP3.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418143
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 99812022

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 96562479) is 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)N[C@H](C)c3nccs3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IEWYCEACOTXJSD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10(15-17-7-8-22-15)19-14(20)13-9-18-16(23-13)11-3-5-12(21-2)6-4-11/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 96562479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).