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

C17H11F3N6S — CID 58416209

IUPAC4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C17H11F3N6S/c1-10-14(27-15(24-10)11-3-2-5-21-7-11)13-4-6-26(25-13)12-8-22-16(23-9-12)17(18,19)20/h2-9H,1H3
InChIKeyMQBFHNYMVLOJTN-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.18
Rot. Bonds3

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

4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 58416209) has the molecular formula C17H11F3N6S and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole
PubChem CID58416209
Molecular FormulaC17H11F3N6S
Molecular Weight388.38 g/mol
Exact Mass388.07
IUPAC Name4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C17H11F3N6S/c1-10-14(27-15(24-10)11-3-2-5-21-7-11)13-4-6-26(25-13)12-8-22-16(23-9-12)17(18,19)20/h2-9H,1H3
InChIKeyMQBFHNYMVLOJTN-UHFFFAOYSA-N
XLogP4.18
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole (CID 58416209) is 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccn(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is MQBFHNYMVLOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6S/c1-10-14(27-15(24-10)11-3-2-5-21-7-11)13-4-6-26(25-13)12-8-22-16(23-9-12)17(18,19)20/h2-9H,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 388.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 58416209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).