(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C13H10BrF3N2OS — CID 156853166

IUPAC(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ncc(C(F)(F)F)s1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrF3N2OS/c1-7(8-3-2-4-9(14)5-8)11(20)19-12-18-6-10(21-12)13(15,16)17/h2-7H,1H3,(H,18,19,20)/t7-/m0/s1
InChIKeyQAMSBYVIBPNAEM-ZETCQYMHSA-N
MW379.20 g/mol
LogP4.67
Rot. Bonds3

About (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 156853166) has the molecular formula C13H10BrF3N2OS and a molecular weight of 379.20 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID156853166
Molecular FormulaC13H10BrF3N2OS
Molecular Weight379.20 g/mol
Exact Mass377.96
IUPAC Name(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ncc(C(F)(F)F)s1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrF3N2OS/c1-7(8-3-2-4-9(14)5-8)11(20)19-12-18-6-10(21-12)13(15,16)17/h2-7H,1H3,(H,18,19,20)/t7-/m0/s1
InChIKeyQAMSBYVIBPNAEM-ZETCQYMHSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 163254921
(2S)-2-[3-[2-(prop-2-enoylamino)-1H-pyridazin-5-yl]phenyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 166731762
(E)-4-[(3S)-3-fluoropyrrolidin-1-yl]-N-[5-[3-[(2S)-1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]phenyl]pyrazin-2-yl]but-2-enamide
CID 146449000
2-(3-bromophenyl)propanehydrazide
CID 116843936
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806
2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
CID 116848149
2-[5-[5-[(2-isocyanoacetyl)amino]pyrazin-2-yl]-3-pyridinyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159464400
2-[5-[5-cyano-6-(prop-2-enoylamino)-3-pyridinyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 146448804
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide
CID 166311484
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 89279295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 156853166) is (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is C[C@H](C(=O)Nc1ncc(C(F)(F)F)s1)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is QAMSBYVIBPNAEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H10BrF3N2OS/c1-7(8-3-2-4-9(14)5-8)11(20)19-12-18-6-10(21-12)13(15,16)17/h2-7H,1H3,(H,18,19,20)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 379.20 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 156853166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).