1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea

C17H15F3N6OS — CID 51353378

IUPAC1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1ncsc1NC(=O)Nc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N6OS/c1-9-15(28-8-22-9)24-16(27)23-11-4-5-14(21-7-11)26-13(17(18,19)20)6-12(25-26)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,23,24,27)
InChIKeyZYNMTGYQHCTIBE-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.57
Rot. Bonds4

About 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea

1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea (PubChem CID 51353378) has the molecular formula C17H15F3N6OS and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
PubChem CID51353378
Molecular FormulaC17H15F3N6OS
Molecular Weight408.41 g/mol
Exact Mass408.10
IUPAC Name1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1ncsc1NC(=O)Nc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N6OS/c1-9-15(28-8-22-9)24-16(27)23-11-4-5-14(21-7-11)26-13(17(18,19)20)6-12(25-26)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,23,24,27)
InChIKeyZYNMTGYQHCTIBE-UHFFFAOYSA-N
XLogP4.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Thiazole derivative 4
CID 73891136
1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 15602701
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1487644
1-[4-[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 57518325
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 57518341
N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)pyridin-2-yl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 135234248
1-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 151283344
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 152241138
1-{5-[2-(2-Amino-pyridin-yl)-ethyl]-thiazol-2-yl}-3-[5-tert-butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-urea
CID 156239969
[4-[2-(1,3-Thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69086177
1-[4-(2-{2-[3-(5-tert-Butyl-2-cyclopropylmethyl-2H-pyrazol-3-yl)-uredo]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-3-ethyl-urea
CID 148167497
1-{5-[2-(2-Amino-pyridin-4-yl)-ethyl]-thiazol-2-yl}-3-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-urea
CID 149620846

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea (CID 51353378) is 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea is Cc1ncsc1NC(=O)Nc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)nc1.
What is the InChIKey of 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The InChIKey is ZYNMTGYQHCTIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6OS/c1-9-15(28-8-22-9)24-16(27)23-11-4-5-14(21-7-11)26-13(17(18,19)20)6-12(25-26)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,23,24,27).
What are the key properties of 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea has a molecular weight of 408.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 51353378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).