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

C21H20ClF3N4O2S2 — CID 90970723

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)CCCC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)s1
InChIInChI=1S/C21H20ClF3N4O2S2/c1-10(5-4-6-15(30)18-11(2)28-12(3)32-18)20-27-9-16(33-20)19(31)29-17-7-13(21(23,24)25)14(22)8-26-17/h7-10H,4-6H2,1-3H3,(H,26,29,31)
InChIKeyXBLUEMJRHZXZPY-UHFFFAOYSA-N
MW517.00 g/mol
LogP6.69
Rot. Bonds8

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

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 90970723) has the molecular formula C21H20ClF3N4O2S2 and a molecular weight of 517.00 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID90970723
Molecular FormulaC21H20ClF3N4O2S2
Molecular Weight517.00 g/mol
Exact Mass516.07
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)CCCC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)s1
InChIInChI=1S/C21H20ClF3N4O2S2/c1-10(5-4-6-15(30)18-11(2)28-12(3)32-18)20-27-9-16(33-20)19(31)29-17-7-13(21(23,24)25)14(22)8-26-17/h7-10H,4-6H2,1-3H3,(H,26,29,31)
InChIKeyXBLUEMJRHZXZPY-UHFFFAOYSA-N
XLogP6.69
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.00
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[5-(dimethylamino)pentanoyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 147523393
2-[4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 148793394
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[3-methyl-2-(methylamino)imidazol-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 159455849
2-[4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146967534
2-[4-[6-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 149136613
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 159869617
4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide
CID 76568912
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-oxo-4-(6-pyridin-4-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 160668696
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 161176027
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 89433948
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 77453797
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 146965108

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide (CID 90970723) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)CCCC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XBLUEMJRHZXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O2S2/c1-10(5-4-6-15(30)18-11(2)28-12(3)32-18)20-27-9-16(33-20)19(31)29-17-7-13(21(23,24)25)14(22)8-26-17/h7-10H,4-6H2,1-3H3,(H,26,29,31).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 517.00 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90970723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).