N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C21H18FN3O2S — CID 27675364

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H18FN3O2S/c1-12-18(28-21(23-12)13-6-8-14(22)9-7-13)20(27)25-17-5-3-2-4-16(17)19(26)24-15-10-11-15/h2-9,15H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyWZPIMMUQZAWQMN-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 27675364) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID27675364
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H18FN3O2S/c1-12-18(28-21(23-12)13-6-8-14(22)9-7-13)20(27)25-17-5-3-2-4-16(17)19(26)24-15-10-11-15/h2-9,15H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyWZPIMMUQZAWQMN-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599161
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylbenzoic acid
CID 108801089
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 27675364) is N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WZPIMMUQZAWQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-12-18(28-21(23-12)13-6-8-14(22)9-7-13)20(27)25-17-5-3-2-4-16(17)19(26)24-15-10-11-15/h2-9,15H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27675364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).