4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide

C12H16F3N3OS — CID 154862356

IUPAC4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3OS/c1-7-10(20-18-17-7)11(19)16-6-8-2-4-9(5-3-8)12(13,14)15/h8-9H,2-6H2,1H3,(H,16,19)
InChIKeyDSYCGYOFWHIVDF-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide

4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide (PubChem CID 154862356) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
PubChem CID154862356
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3OS/c1-7-10(20-18-17-7)11(19)16-6-8-2-4-9(5-3-8)12(13,14)15/h8-9H,2-6H2,1H3,(H,16,19)
InChIKeyDSYCGYOFWHIVDF-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide (CID 154862356) is 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is DSYCGYOFWHIVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-7-10(20-18-17-7)11(19)16-6-8-2-4-9(5-3-8)12(13,14)15/h8-9H,2-6H2,1H3,(H,16,19).
What are the key properties of 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide?
4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 154862356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).