N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide

C20H17FN2O2S — CID 94828868

IUPACN-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1
InChIInChI=1S/C20H17FN2O2S/c1-25-18-5-3-2-4-14(18)20-23-17(11-26-20)19(24)22-16-10-15(16)12-6-8-13(21)9-7-12/h2-9,11,15-16H,10H2,1H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyCTKCUOCDRATUEA-HOTGVXAUSA-N
MW368.43 g/mol
LogP4.24
Rot. Bonds5

About N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 94828868) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID94828868
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1
InChIInChI=1S/C20H17FN2O2S/c1-25-18-5-3-2-4-14(18)20-23-17(11-26-20)19(24)22-16-10-15(16)12-6-8-13(21)9-7-12/h2-9,11,15-16H,10H2,1H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyCTKCUOCDRATUEA-HOTGVXAUSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 86934431
N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 97077939
2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 51100111
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
(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
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 97011678
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
CID 48663196
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 94828868) is N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1.
What is the InChIKey of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CTKCUOCDRATUEA-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-25-18-5-3-2-4-14(18)20-23-17(11-26-20)19(24)22-16-10-15(16)12-6-8-13(21)9-7-12/h2-9,11,15-16H,10H2,1H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 94828868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).