(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H10ClF3N2O2S — CID 38950816

IUPAC(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C12H10ClF3N2O2S/c1-6(20-5-12(14,15)16)10(19)18-11-17-8-4-7(13)2-3-9(8)21-11/h2-4,6H,5H2,1H3,(H,17,18,19)/t6-/m1/s1
InChIKeyYFTHZGNSFNKDEY-ZCFIWIBFSA-N
MW338.74 g/mol
LogP3.86
Rot. Bonds4

About (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38950816) has the molecular formula C12H10ClF3N2O2S and a molecular weight of 338.74 g/mol. Its IUPAC name is (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38950816
Molecular FormulaC12H10ClF3N2O2S
Molecular Weight338.74 g/mol
Exact Mass338.01
IUPAC Name(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C12H10ClF3N2O2S/c1-6(20-5-12(14,15)16)10(19)18-11-17-8-4-7(13)2-3-9(8)21-11/h2-4,6H,5H2,1H3,(H,17,18,19)/t6-/m1/s1
InChIKeyYFTHZGNSFNKDEY-ZCFIWIBFSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 2204293
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2676975
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38899434
2-amino-3-methyl-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 130313053
(E)-4-[(5-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 1389052
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077781
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 14285781

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38950816) is (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)Nc1nc2cc(Cl)ccc2s1.
What is the InChIKey of (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is YFTHZGNSFNKDEY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2S/c1-6(20-5-12(14,15)16)10(19)18-11-17-8-4-7(13)2-3-9(8)21-11/h2-4,6H,5H2,1H3,(H,17,18,19)/t6-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 338.74 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38950816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).