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

C16H15F3N6OS — CID 174669438

IUPAC3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(N)=O)SCN1c1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C16H15F3N6OS/c1-8-13(14(20)26)27-7-24(8)10-5-21-15(22-6-10)25-11(9-2-3-9)4-12(23-25)16(17,18)19/h4-6,9H,2-3,7H2,1H3,(H2,20,26)
InChIKeySPTRCVBSRRQKSX-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.79
Rot. Bonds4

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

3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide (PubChem CID 174669438) has the molecular formula C16H15F3N6OS and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide
PubChem CID174669438
Molecular FormulaC16H15F3N6OS
Molecular Weight396.40 g/mol
Exact Mass396.10
IUPAC Name3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(N)=O)SCN1c1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C16H15F3N6OS/c1-8-13(14(20)26)27-7-24(8)10-5-21-15(22-6-10)25-11(9-2-3-9)4-12(23-25)16(17,18)19/h4-6,9H,2-3,7H2,1H3,(H2,20,26)
InChIKeySPTRCVBSRRQKSX-UHFFFAOYSA-N
XLogP2.79
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide (CID 174669438) is 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide is CC1=C(C(N)=O)SCN1c1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.
What is the InChIKey of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide?
The InChIKey is SPTRCVBSRRQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6OS/c1-8-13(14(20)26)27-7-24(8)10-5-21-15(22-6-10)25-11(9-2-3-9)4-12(23-25)16(17,18)19/h4-6,9H,2-3,7H2,1H3,(H2,20,26).
What are the key properties of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide?
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-2H-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 174669438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).