2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide

C12H8F6N4OS — CID 75510896

IUPAC2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C12H8F6N4OS/c13-11(14,15)7-5-24-8(22-7)1-2-19-9(23)6-3-20-10(21-4-6)12(16,17)18/h3-5H,1-2H2,(H,19,23)
InChIKeyRVQVBJGZXSAAAA-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.94
Rot. Bonds4

About 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide

2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 75510896) has the molecular formula C12H8F6N4OS and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID75510896
Molecular FormulaC12H8F6N4OS
Molecular Weight370.28 g/mol
Exact Mass370.03
IUPAC Name2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C12H8F6N4OS/c13-11(14,15)7-5-24-8(22-7)1-2-19-9(23)6-3-20-10(21-4-6)12(16,17)18/h3-5H,1-2H2,(H,19,23)
InChIKeyRVQVBJGZXSAAAA-UHFFFAOYSA-N
XLogP2.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide (CID 75510896) is 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is RVQVBJGZXSAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N4OS/c13-11(14,15)7-5-24-8(22-7)1-2-19-9(23)6-3-20-10(21-4-6)12(16,17)18/h3-5H,1-2H2,(H,19,23).
What are the key properties of 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide?
2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 75510896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).