2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C17H14ClF3N4OS — CID 56848192

IUPAC2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)n1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C17H14ClF3N4OS/c1-9(2)25-12(7-14(24-25)17(19,20)21)13-8-22-16(27-13)23-15(26)10-5-3-4-6-11(10)18/h3-9H,1-2H3,(H,22,23,26)
InChIKeyBTEBBJDACLZGME-UHFFFAOYSA-N
MW414.84 g/mol
LogP5.51
Rot. Bonds4

About 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848192) has the molecular formula C17H14ClF3N4OS and a molecular weight of 414.84 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848192
Molecular FormulaC17H14ClF3N4OS
Molecular Weight414.84 g/mol
Exact Mass414.05
IUPAC Name2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)n1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C17H14ClF3N4OS/c1-9(2)25-12(7-14(24-25)17(19,20)21)13-8-22-16(27-13)23-15(26)10-5-3-4-6-11(10)18/h3-9H,1-2H3,(H,22,23,26)
InChIKeyBTEBBJDACLZGME-UHFFFAOYSA-N
XLogP5.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848192) is 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is CC(C)n1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BTEBBJDACLZGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4OS/c1-9(2)25-12(7-14(24-25)17(19,20)21)13-8-22-16(27-13)23-15(26)10-5-3-4-6-11(10)18/h3-9H,1-2H3,(H,22,23,26).
What are the key properties of 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 414.84 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).