N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

C16H13F3N6OS — CID 140564999

IUPACN-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cncs1
InChIInChI=1S/C16H13F3N6OS/c17-16(18,19)13-3-11(10-1-2-10)25(24-13)15-22-5-9(6-23-15)4-21-14(26)12-7-20-8-27-12/h3,5-8,10H,1-2,4H2,(H,21,26)
InChIKeyUROOCLQETJYMLI-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.94
Rot. Bonds5

About N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 140564999) has the molecular formula C16H13F3N6OS and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID140564999
Molecular FormulaC16H13F3N6OS
Molecular Weight394.38 g/mol
Exact Mass394.08
IUPAC NameN-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cncs1
InChIInChI=1S/C16H13F3N6OS/c17-16(18,19)13-3-11(10-1-2-10)25(24-13)15-22-5-9(6-23-15)4-21-14(26)12-7-20-8-27-12/h3,5-8,10H,1-2,4H2,(H,21,26)
InChIKeyUROOCLQETJYMLI-UHFFFAOYSA-N
XLogP2.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353373
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 132003573
(2-bromo-1,3-thiazol-5-yl)-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
CID 139482384
(2-bromo-1,3-thiazol-5-yl)-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 155441440
N-benzyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 176126281
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4765796
5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768579
5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4771111
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451426
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46975225
5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138016676
N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58242990

Frequently Asked Questions

What is the IUPAC name of N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 140564999) is N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cncs1.
What is the InChIKey of N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UROOCLQETJYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6OS/c17-16(18,19)13-3-11(10-1-2-10)25(24-13)15-22-5-9(6-23-15)4-21-14(26)12-7-20-8-27-12/h3,5-8,10H,1-2,4H2,(H,21,26).
What are the key properties of N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 140564999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).