2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C13H11ClF3N3OS — CID 71710195

IUPAC2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Cl)nc1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H11ClF3N3OS/c1-6(2)10-9(20-12(14)22-10)11(21)19-7-3-4-8(18-5-7)13(15,16)17/h3-6H,1-2H3,(H,19,21)
InChIKeyZKVNWCWQBPSEIH-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71710195) has the molecular formula C13H11ClF3N3OS and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71710195
Molecular FormulaC13H11ClF3N3OS
Molecular Weight349.77 g/mol
Exact Mass349.03
IUPAC Name2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Cl)nc1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H11ClF3N3OS/c1-6(2)10-9(20-12(14)22-10)11(21)19-7-3-4-8(18-5-7)13(15,16)17/h3-6H,1-2H3,(H,19,21)
InChIKeyZKVNWCWQBPSEIH-UHFFFAOYSA-N
XLogP4.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-chloro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71702900
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122516055
N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71703340
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 167066110
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 67086190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71710195) is 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is CC(C)c1sc(Cl)nc1C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZKVNWCWQBPSEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3OS/c1-6(2)10-9(20-12(14)22-10)11(21)19-7-3-4-8(18-5-7)13(15,16)17/h3-6H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71710195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).