N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide

C16H13F3N6OS — CID 51353373

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C16H13F3N6OS/c1-8-13(27-7-22-8)14(26)23-10-5-20-15(21-6-10)25-11(9-2-3-9)4-12(24-25)16(17,18)19/h4-7,9H,2-3H2,1H3,(H,23,26)
InChIKeyZERPDVBVUIWHHT-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.58
Rot. Bonds4

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51353373) 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]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51353373
Molecular FormulaC16H13F3N6OS
Molecular Weight394.38 g/mol
Exact Mass394.08
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C16H13F3N6OS/c1-8-13(27-7-22-8)14(26)23-10-5-20-15(21-6-10)25-11(9-2-3-9)4-12(24-25)16(17,18)19/h4-7,9H,2-3H2,1H3,(H,23,26)
InChIKeyZERPDVBVUIWHHT-UHFFFAOYSA-N
XLogP3.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 57518341
3-[7-(Difluoromethyl)-[1,2,4]triazolo[1,5-A]pyrimidin-5-YL]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine
CID 110235258
2,4-dimethyl-N-(2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimidin-5-yl)thiazole-5-carboxamide
CID 71789832
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 121525353
N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353311
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-4-methylpyrimidine-5-carboxamide
CID 51353438
N-[6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl]-4-methylthiazole-5-carboxamide
CID 57518342
N-{6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}-4-methylthiazole-5-carboxamide hydrochloride
CID 67114836
N-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 140564999
N-[(E)-1-amino-3-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethylimino]prop-1-en-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 162569539
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide
CID 174669438
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451426

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51353373) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZERPDVBVUIWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6OS/c1-8-13(27-7-22-8)14(26)23-10-5-20-15(21-6-10)25-11(9-2-3-9)4-12(24-25)16(17,18)19/h4-7,9H,2-3H2,1H3,(H,23,26).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.58, 4 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]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51353373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).