2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C11H10ClF3N4OS — CID 154765796

IUPAC2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1c(CNC(=O)c2sc(Cl)nc2C(F)(F)F)cnn1C
InChIInChI=1S/C11H10ClF3N4OS/c1-5-6(4-17-19(5)2)3-16-9(20)7-8(11(13,14)15)18-10(12)21-7/h4H,3H2,1-2H3,(H,16,20)
InChIKeyOHEIBJXRPHNPBO-UHFFFAOYSA-N
MW338.74 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 154765796) has the molecular formula C11H10ClF3N4OS and a molecular weight of 338.74 g/mol. Its IUPAC name is 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID154765796
Molecular FormulaC11H10ClF3N4OS
Molecular Weight338.74 g/mol
Exact Mass338.02
IUPAC Name2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1c(CNC(=O)c2sc(Cl)nc2C(F)(F)F)cnn1C
InChIInChI=1S/C11H10ClF3N4OS/c1-5-6(4-17-19(5)2)3-16-9(20)7-8(11(13,14)15)18-10(12)21-7/h4H,3H2,1-2H3,(H,16,20)
InChIKeyOHEIBJXRPHNPBO-UHFFFAOYSA-N
XLogP2.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 154765796) is 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1c(CNC(=O)c2sc(Cl)nc2C(F)(F)F)cnn1C.
What is the InChIKey of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OHEIBJXRPHNPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4OS/c1-5-6(4-17-19(5)2)3-16-9(20)7-8(11(13,14)15)18-10(12)21-7/h4H,3H2,1-2H3,(H,16,20).
What are the key properties of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 338.74 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).