2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole

C11H18N2S — CID 146232209

IUPAC2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole
SMILESCc1nnc(C2(C)CCCCCC2)s1
InChIInChI=1S/C11H18N2S/c1-9-12-13-10(14-9)11(2)7-5-3-4-6-8-11/h3-8H2,1-2H3
InChIKeyFDKYYRWSMLHMFT-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.46
Rot. Bonds1

About 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole

2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole (PubChem CID 146232209) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole
PubChem CID146232209
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole
SMILESCc1nnc(C2(C)CCCCCC2)s1
InChIInChI=1S/C11H18N2S/c1-9-12-13-10(14-9)11(2)7-5-3-4-6-8-11/h3-8H2,1-2H3
InChIKeyFDKYYRWSMLHMFT-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole (CID 146232209) is 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole is Cc1nnc(C2(C)CCCCCC2)s1.
What is the InChIKey of 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole?
The InChIKey is FDKYYRWSMLHMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-12-13-10(14-9)11(2)7-5-3-4-6-8-11/h3-8H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole?
2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole has a molecular weight of 210.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylcycloheptyl)-1,3,4-thiadiazole is sourced from PubChem (CID 146232209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).