2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide

C36H26Cl3F9N10O5S3 — CID 158917665

IUPAC2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C12H10ClF3N4OS.C12H9ClF3N3O2S.C12H7ClF3N3O2S/c1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;2*1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9/h2-5H,17H2,1H3,(H,18,20,21);2-5,20H,1H3,(H,17,19,21);2-4H,1H3,(H,17,19,21)/t5-;;/m1../s1
InChIKeyJHKYPFNDOUOKBJ-ZJIMSODOSA-N
MW1052.21 g/mol
LogP10.66
Rot. Bonds9

About 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 158917665) has the molecular formula C36H26Cl3F9N10O5S3 and a molecular weight of 1052.21 g/mol. Its IUPAC name is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID158917665
Molecular FormulaC36H26Cl3F9N10O5S3
Molecular Weight1052.21 g/mol
Exact Mass1050.02
IUPAC Name2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C12H10ClF3N4OS.C12H9ClF3N3O2S.C12H7ClF3N3O2S/c1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;2*1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9/h2-5H,17H2,1H3,(H,18,20,21);2-5,20H,1H3,(H,17,19,21);2-4H,1H3,(H,17,19,21)/t5-;;/m1../s1
InChIKeyJHKYPFNDOUOKBJ-ZJIMSODOSA-N
XLogP10.66
TPSA227.96 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.21
LogP ≤ 510.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160403
2-[1-[[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
CID 25161173
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569309
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569322
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569387
4-N,6-N-bis[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
CID 57569430
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569496
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569816
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569866
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569932
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 68056818
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 68072656

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide (CID 158917665) is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide is CC(=O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JHKYPFNDOUOKBJ-ZJIMSODOSA-N. The full InChI is InChI=1S/C12H10ClF3N4OS.C12H9ClF3N3O2S.C12H7ClF3N3O2S/c1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;2*1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9/h2-5H,17H2,1H3,(H,18,20,21);2-5,20H,1H3,(H,17,19,21);2-4H,1H3,(H,17,19,21)/t5-;;/m1../s1.
What are the key properties of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?
2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 1052.21 g/mol, XLogP of 10.66, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158917665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).