2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide

C12H11F3N4OS2 — CID 154784982

IUPAC2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(F)(F)F)nc(SC)n2)s1
InChIInChI=1S/C12H11F3N4OS2/c1-3-9-16-5-6(22-9)10(20)18-8-4-7(12(13,14)15)17-11(19-8)21-2/h4-5H,3H2,1-2H3,(H,17,18,19,20)
InChIKeyTYJACPBIAYCOGV-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.49
Rot. Bonds4

About 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 154784982) has the molecular formula C12H11F3N4OS2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID154784982
Molecular FormulaC12H11F3N4OS2
Molecular Weight348.38 g/mol
Exact Mass348.03
IUPAC Name2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(F)(F)F)nc(SC)n2)s1
InChIInChI=1S/C12H11F3N4OS2/c1-3-9-16-5-6(22-9)10(20)18-8-4-7(12(13,14)15)17-11(19-8)21-2/h4-5H,3H2,1-2H3,(H,17,18,19,20)
InChIKeyTYJACPBIAYCOGV-UHFFFAOYSA-N
XLogP3.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Aminopyrimidin-4-yl)-4-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 90643549
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 1255929
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 72006788
4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(1,3-thiazol-2-yl)butanam ide
CID 16443274
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158544
N-ethyl-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 55521888
2-Amino-N-[2-(1,3-thiazol-4-YL)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 77093881
4-methyl-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-5-carboxamide
CID 91631391
2-N-methyl-4-N-[2-(1,3-thiazol-2-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105922842
4-N-[2-(1,3-thiazol-2-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105922995
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105923327
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105923409

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide (CID 154784982) is 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cc(C(F)(F)F)nc(SC)n2)s1.
What is the InChIKey of 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is TYJACPBIAYCOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS2/c1-3-9-16-5-6(22-9)10(20)18-8-4-7(12(13,14)15)17-11(19-8)21-2/h4-5H,3H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154784982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).