4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide

C12H12F3N5OS — CID 71796950

IUPAC4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2snnc2C)n1
InChIInChI=1S/C12H12F3N5OS/c1-6-5-8(12(13,14)15)18-9(17-6)3-4-16-11(21)10-7(2)19-20-22-10/h5H,3-4H2,1-2H3,(H,16,21)
InChIKeyRVQHUTLUDLPVIJ-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.94
Rot. Bonds4

About 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide

4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide (PubChem CID 71796950) has the molecular formula C12H12F3N5OS and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide
PubChem CID71796950
Molecular FormulaC12H12F3N5OS
Molecular Weight331.32 g/mol
Exact Mass331.07
IUPAC Name4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2snnc2C)n1
InChIInChI=1S/C12H12F3N5OS/c1-6-5-8(12(13,14)15)18-9(17-6)3-4-16-11(21)10-7(2)19-20-22-10/h5H,3-4H2,1-2H3,(H,16,21)
InChIKeyRVQHUTLUDLPVIJ-UHFFFAOYSA-N
XLogP1.94
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 71797055
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 72718174
N-(2-((2-(ethylamino)-6-methylpyrimidin-4-yl)amino)ethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 56700162
(4-Methyl-1,2,3-thiadiazol-5-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631596
4-methyl-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1,2,3-thiadiazole-5-carboxamide
CID 91817777
4-methyl-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-1,2,5-thiadiazole-3-carboxamide
CID 138809589
2-Ethyl-4-methyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}-1,3-thiazole-5-carboxamide
CID 50966775
2-isopropyl-4-methyl-N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-1,3-thiazole-5-carboxamide
CID 72907903
(4-Ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110113701
N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiadiazole-5-carboxamide
CID 21008228
(4-Ethylthiadiazol-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 25638554
N-(2-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}ethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 45502696

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide (CID 71796950) is 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2snnc2C)n1.
What is the InChIKey of 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide?
The InChIKey is RVQHUTLUDLPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5OS/c1-6-5-8(12(13,14)15)18-9(17-6)3-4-16-11(21)10-7(2)19-20-22-10/h5H,3-4H2,1-2H3,(H,16,21).
What are the key properties of 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71796950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).