5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine

C15H10F4N4S — CID 58742235

IUPAC5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1nc(N)ncc1F
InChIInChI=1S/C15H10F4N4S/c1-7-12(11-10(16)6-21-14(20)23-11)24-13(22-7)8-2-4-9(5-3-8)15(17,18)19/h2-6H,1H3,(H2,20,21,23)
InChIKeyUBNQPFAMQPXXPW-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.32
Rot. Bonds2

About 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine

5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 58742235) has the molecular formula C15H10F4N4S and a molecular weight of 354.33 g/mol. Its IUPAC name is 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID58742235
Molecular FormulaC15H10F4N4S
Molecular Weight354.33 g/mol
Exact Mass354.06
IUPAC Name5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1nc(N)ncc1F
InChIInChI=1S/C15H10F4N4S/c1-7-12(11-10(16)6-21-14(20)23-11)24-13(22-7)8-2-4-9(5-3-8)15(17,18)19/h2-6H,1H3,(H2,20,21,23)
InChIKeyUBNQPFAMQPXXPW-UHFFFAOYSA-N
XLogP4.32
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 58742235) is 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is UBNQPFAMQPXXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4S/c1-7-12(11-10(16)6-21-14(20)23-11)24-13(22-7)8-2-4-9(5-3-8)15(17,18)19/h2-6H,1H3,(H2,20,21,23).
What are the key properties of 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 354.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 58742235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).