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

C21H20N2O2S — CID 86934431

IUPAC2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NCC2CC2c2ccccc2)cs1
InChIInChI=1S/C21H20N2O2S/c1-25-19-10-6-5-9-16(19)21-23-18(13-26-21)20(24)22-12-15-11-17(15)14-7-3-2-4-8-14/h2-10,13,15,17H,11-12H2,1H3,(H,22,24)
InChIKeyFHULPYCRHMFMDO-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.35
Rot. Bonds6

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

2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 86934431) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID86934431
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NCC2CC2c2ccccc2)cs1
InChIInChI=1S/C21H20N2O2S/c1-25-19-10-6-5-9-16(19)21-23-18(13-26-21)20(24)22-12-15-11-17(15)14-7-3-2-4-8-14/h2-10,13,15,17H,11-12H2,1H3,(H,22,24)
InChIKeyFHULPYCRHMFMDO-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94828868
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
(2S,3aS,7aR)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125153216
2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 51100111
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 56519901
[(3R,4R)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758984
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (CID 86934431) is 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(C(=O)NCC2CC2c2ccccc2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FHULPYCRHMFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-19-10-6-5-9-16(19)21-23-18(13-26-21)20(24)22-12-15-11-17(15)14-7-3-2-4-8-14/h2-10,13,15,17H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86934431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).