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

C12H11F3N4OS — CID 154803159

IUPAC4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide
SMILESCc1ccnc(C(=O)NC(c2nc(C)cs2)C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4OS/c1-6-3-4-16-9(17-6)10(20)19-8(12(13,14)15)11-18-7(2)5-21-11/h3-5,8H,1-2H3,(H,19,20)
InChIKeySBNTYAGPMYQINX-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.58
Rot. Bonds3

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

4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide (PubChem CID 154803159) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide
PubChem CID154803159
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide
SMILESCc1ccnc(C(=O)NC(c2nc(C)cs2)C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4OS/c1-6-3-4-16-9(17-6)10(20)19-8(12(13,14)15)11-18-7(2)5-21-11/h3-5,8H,1-2H3,(H,19,20)
InChIKeySBNTYAGPMYQINX-UHFFFAOYSA-N
XLogP2.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide (CID 154803159) is 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide is Cc1ccnc(C(=O)NC(c2nc(C)cs2)C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide?
The InChIKey is SBNTYAGPMYQINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-6-3-4-16-9(17-6)10(20)19-8(12(13,14)15)11-18-7(2)5-21-11/h3-5,8H,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide?
4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 154803159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).