2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

C21H20N2O2S — CID 46462293

IUPAC2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC3(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-17-9-7-15(8-10-17)20-23-18(13-26-20)19(24)22-14-21(11-12-21)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,24)
InChIKeyYTPIEDPCFDRAOK-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46462293) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46462293
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC3(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-17-9-7-15(8-10-17)20-23-18(13-26-20)19(24)22-14-21(11-12-21)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,24)
InChIKeyYTPIEDPCFDRAOK-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55666102
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 134049696
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-(2-amino-2-ethylbutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119640344
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117088936
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (CID 46462293) is 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC3(c4ccccc4)CC3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YTPIEDPCFDRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-17-9-7-15(8-10-17)20-23-18(13-26-20)19(24)22-14-21(11-12-21)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46462293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).