(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

C10H9ClF3N5OS — CID 51390484

IUPAC(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1nn([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl
InChIInChI=1S/C10H9ClF3N5OS/c1-4-6(11)3-19(18-4)5(2)7(20)15-9-17-16-8(21-9)10(12,13)14/h3,5H,1-2H3,(H,15,17,20)/t5-/m0/s1
InChIKeyYRNUPJNQCMXOQU-YFKPBYRVSA-N
MW339.73 g/mol
LogP2.91
Rot. Bonds3

About (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 51390484) has the molecular formula C10H9ClF3N5OS and a molecular weight of 339.73 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID51390484
Molecular FormulaC10H9ClF3N5OS
Molecular Weight339.73 g/mol
Exact Mass339.02
IUPAC Name(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1nn([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl
InChIInChI=1S/C10H9ClF3N5OS/c1-4-6(11)3-19(18-4)5(2)7(20)15-9-17-16-8(21-9)10(12,13)14/h3,5H,1-2H3,(H,15,17,20)/t5-/m0/s1
InChIKeyYRNUPJNQCMXOQU-YFKPBYRVSA-N
XLogP2.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 51390484) is (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1nn([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is YRNUPJNQCMXOQU-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9ClF3N5OS/c1-4-6(11)3-19(18-4)5(2)7(20)15-9-17-16-8(21-9)10(12,13)14/h3,5H,1-2H3,(H,15,17,20)/t5-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
(2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 339.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 51390484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).