(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide

C15H15F4N3OS — CID 95164173

IUPAC(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide
SMILESCc1nc(NC(=O)[C@@H](C)Nc2ccc(F)c(C(F)(F)F)c2)sc1C
InChIInChI=1S/C15H15F4N3OS/c1-7-9(3)24-14(21-7)22-13(23)8(2)20-10-4-5-12(16)11(6-10)15(17,18)19/h4-6,8,20H,1-3H3,(H,21,22,23)/t8-/m1/s1
InChIKeyFAWQJIFEGFWOKD-MRVPVSSYSA-N
MW361.36 g/mol
LogP4.36
Rot. Bonds4

About (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide (PubChem CID 95164173) has the molecular formula C15H15F4N3OS and a molecular weight of 361.36 g/mol. Its IUPAC name is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide
PubChem CID95164173
Molecular FormulaC15H15F4N3OS
Molecular Weight361.36 g/mol
Exact Mass361.09
IUPAC Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide
SMILESCc1nc(NC(=O)[C@@H](C)Nc2ccc(F)c(C(F)(F)F)c2)sc1C
InChIInChI=1S/C15H15F4N3OS/c1-7-9(3)24-14(21-7)22-13(23)8(2)20-10-4-5-12(16)11(6-10)15(17,18)19/h4-6,8,20H,1-3H3,(H,21,22,23)/t8-/m1/s1
InChIKeyFAWQJIFEGFWOKD-MRVPVSSYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 36770876
2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61227651
2-[4-fluoro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80568805
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
CID 28824897
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 79390899
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 47098598
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534867
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 41322464

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide (CID 95164173) is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide is Cc1nc(NC(=O)[C@@H](C)Nc2ccc(F)c(C(F)(F)F)c2)sc1C.
What is the InChIKey of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is FAWQJIFEGFWOKD-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15F4N3OS/c1-7-9(3)24-14(21-7)22-13(23)8(2)20-10-4-5-12(16)11(6-10)15(17,18)19/h4-6,8,20H,1-3H3,(H,21,22,23)/t8-/m1/s1.
What are the key properties of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide?
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 361.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 95164173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).