N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide

C17H13F3N6O3S — CID 139564794

IUPACN-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1ccncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C17H13F3N6O3S/c1-8(25-14(28)10-2-3-21-7-24-10)16-23-6-12(30-16)15(29)26-13-4-9(17(18,19)20)11(27)5-22-13/h2-8,27H,1H3,(H,25,28)(H,22,26,29)
InChIKeyNSVCLEGSFKMFNB-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.80
Rot. Bonds5

About N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide

N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 139564794) has the molecular formula C17H13F3N6O3S and a molecular weight of 438.39 g/mol. Its IUPAC name is N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID139564794
Molecular FormulaC17H13F3N6O3S
Molecular Weight438.39 g/mol
Exact Mass438.07
IUPAC NameN-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1ccncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C17H13F3N6O3S/c1-8(25-14(28)10-2-3-21-7-24-10)16-23-6-12(30-16)15(29)26-13-4-9(17(18,19)20)11(27)5-22-13/h2-8,27H,1H3,(H,25,28)(H,22,26,29)
InChIKeyNSVCLEGSFKMFNB-UHFFFAOYSA-N
XLogP2.80
TPSA129.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 139564787
2-[(1R)-1-[[6-(4-hydroxyiminopiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 139564831
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-[1-[(1-pyridin-4-ylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 77453792
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-formylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129090581
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[[2-(methylamino)-2-oxoethyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129211883
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160918
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-oxopiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160792
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 89210368
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 68952275
2-[1-[[5-chloro-6-[methyl(pyridin-3-yl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129199302
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[(7-methylpyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25151251

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 139564794) is N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1ccncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1.
What is the InChIKey of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NSVCLEGSFKMFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O3S/c1-8(25-14(28)10-2-3-21-7-24-10)16-23-6-12(30-16)15(29)26-13-4-9(17(18,19)20)11(27)5-22-13/h2-8,27H,1H3,(H,25,28)(H,22,26,29).
What are the key properties of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139564794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).