4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide

C14H15F3N6OS — CID 91817777

IUPAC4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H15F3N6OS/c1-8-12(25-22-21-8)13(24)20-9-2-4-23(5-3-9)11-6-10(14(15,16)17)18-7-19-11/h6-7,9H,2-5H2,1H3,(H,20,24)
InChIKeyBWPCVMADXIHENX-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.05
Rot. Bonds3

About 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide

4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide (PubChem CID 91817777) has the molecular formula C14H15F3N6OS and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide
PubChem CID91817777
Molecular FormulaC14H15F3N6OS
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H15F3N6OS/c1-8-12(25-22-21-8)13(24)20-9-2-4-23(5-3-9)11-6-10(14(15,16)17)18-7-19-11/h6-7,9H,2-5H2,1H3,(H,20,24)
InChIKeyBWPCVMADXIHENX-UHFFFAOYSA-N
XLogP2.05
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Propyl-1,2,3-thiadiazol-5-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631507
4-methyl-N-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1,2,3-thiadiazole-5-carboxamide
CID 71794942
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-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 71796950
(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)thiazole-5-carboxamide
CID 91631391
N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889602
4-ethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 40169762
4-methyl-N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}-1,2,3-thiadiazole-5-carboxamide
CID 49687706
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide
CID 141223783
4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide
CID 45204680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide (CID 91817777) is 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide?
The InChIKey is BWPCVMADXIHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6OS/c1-8-12(25-22-21-8)13(24)20-9-2-4-23(5-3-9)11-6-10(14(15,16)17)18-7-19-11/h6-7,9H,2-5H2,1H3,(H,20,24).
What are the key properties of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide?
4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 91817777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).