2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C18H15F3N6O3S — CID 91342742

IUPAC2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cccc(N)n1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C18H15F3N6O3S/c1-8(25-15(29)10-3-2-4-13(22)26-10)17-24-7-12(31-17)16(30)27-14-5-9(18(19,20)21)11(28)6-23-14/h2-8,28H,1H3,(H2,22,26)(H,25,29)(H,23,27,30)
InChIKeyQIWQIZNKZWOHJG-UHFFFAOYSA-N
MW452.42 g/mol
LogP2.98
Rot. Bonds5

About 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 91342742) has the molecular formula C18H15F3N6O3S and a molecular weight of 452.42 g/mol. Its IUPAC name is 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID91342742
Molecular FormulaC18H15F3N6O3S
Molecular Weight452.42 g/mol
Exact Mass452.09
IUPAC Name2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cccc(N)n1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C18H15F3N6O3S/c1-8(25-15(29)10-3-2-4-13(22)26-10)17-24-7-12(31-17)16(30)27-14-5-9(18(19,20)21)11(28)6-23-14/h2-8,28H,1H3,(H2,22,26)(H,25,29)(H,23,27,30)
InChIKeyQIWQIZNKZWOHJG-UHFFFAOYSA-N
XLogP2.98
TPSA143.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11709877
N-[4-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 25497907
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 48691190
[4-Amino-2-[[1-[3-[(3-hydroxy-2-pyridinyl)methylamino]propylsulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 60005493
5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide
CID 67256784
N-[5-hydroxy-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-(quinoxaline-6-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 70871238
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(quinoxaline-6-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 77935081
2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 90747841
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129091006
2-[(1R)-1-[[(2Z)-2-(ethylideneamino)penta-2,4-dienoyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091009
2-[1-[(5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091105
2-[1-[[6-[3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propyl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 91342742) is 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cccc(N)n1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1.
What is the InChIKey of 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QIWQIZNKZWOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O3S/c1-8(25-15(29)10-3-2-4-13(22)26-10)17-24-7-12(31-17)16(30)27-14-5-9(18(19,20)21)11(28)6-23-14/h2-8,28H,1H3,(H2,22,26)(H,25,29)(H,23,27,30).
What are the key properties of 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 452.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91342742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).