N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C24H20ClF3N6O2S — CID 91313937

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)C1=CN(c2ccccn2)C(C)C=C1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C24H20ClF3N6O2S/c1-13-6-7-15(12-34(13)20-5-3-4-8-29-20)21(35)32-14(2)23-31-11-18(37-23)22(36)33-19-9-16(24(26,27)28)17(25)10-30-19/h3-14H,1-2H3,(H,32,35)(H,30,33,36)
InChIKeyABZBVTVZTDDFIB-UHFFFAOYSA-N
MW548.98 g/mol
LogP5.38
Rot. Bonds6

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 91313937) has the molecular formula C24H20ClF3N6O2S and a molecular weight of 548.98 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID91313937
Molecular FormulaC24H20ClF3N6O2S
Molecular Weight548.98 g/mol
Exact Mass548.10
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)C1=CN(c2ccccn2)C(C)C=C1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C24H20ClF3N6O2S/c1-13-6-7-15(12-34(13)20-5-3-4-8-29-20)21(35)32-14(2)23-31-11-18(37-23)22(36)33-19-9-16(24(26,27)28)17(25)10-30-19/h3-14H,1-2H3,(H,32,35)(H,30,33,36)
InChIKeyABZBVTVZTDDFIB-UHFFFAOYSA-N
XLogP5.38
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.98
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 91313937) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)C1=CN(c2ccccn2)C(C)C=C1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ABZBVTVZTDDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N6O2S/c1-13-6-7-15(12-34(13)20-5-3-4-8-29-20)21(35)32-14(2)23-31-11-18(37-23)22(36)33-19-9-16(24(26,27)28)17(25)10-30-19/h3-14H,1-2H3,(H,32,35)(H,30,33,36).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 548.98 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 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-[1-[(2-methyl-1-pyridin-2-yl-2H-pyridine-5-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91313937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).