2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C16H15F3N6S — CID 154882869

IUPAC2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCc1nc(N2CCN(c3nc4cnccc4s3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H15F3N6S/c1-10-21-13(16(17,18)19)8-14(22-10)24-4-6-25(7-5-24)15-23-11-9-20-3-2-12(11)26-15/h2-3,8-9H,4-7H2,1H3
InChIKeyBKXXXJGAOCQRHI-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.14
Rot. Bonds2

About 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 154882869) has the molecular formula C16H15F3N6S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID154882869
Molecular FormulaC16H15F3N6S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCc1nc(N2CCN(c3nc4cnccc4s3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H15F3N6S/c1-10-21-13(16(17,18)19)8-14(22-10)24-4-6-25(7-5-24)15-23-11-9-20-3-2-12(11)26-15/h2-3,8-9H,4-7H2,1H3
InChIKeyBKXXXJGAOCQRHI-UHFFFAOYSA-N
XLogP3.14
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154853618
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 163357343
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 171702430
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133458800
[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine
CID 45222357
4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154883702
3-(methoxymethyl)-5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 154882638
6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605343
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166601649
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 154882869) is 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is Cc1nc(N2CCN(c3nc4cnccc4s3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is BKXXXJGAOCQRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6S/c1-10-21-13(16(17,18)19)8-14(22-10)24-4-6-25(7-5-24)15-23-11-9-20-3-2-12(11)26-15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 380.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 154882869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).