5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine

C9H15N3S — CID 64983209

IUPAC5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC2C)s1
InChIInChI=1S/C9H15N3S/c1-6-4-3-5-8(6)10-9-12-11-7(2)13-9/h6,8H,3-5H2,1-2H3,(H,10,12)
InChIKeyLBVBIRXKGOPXCL-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.45
Rot. Bonds2

About 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64983209) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
PubChem CID64983209
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC2C)s1
InChIInChI=1S/C9H15N3S/c1-6-4-3-5-8(6)10-9-12-11-7(2)13-9/h6,8H,3-5H2,1-2H3,(H,10,12)
InChIKeyLBVBIRXKGOPXCL-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine (CID 64983209) is 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CCCC2C)s1.
What is the InChIKey of 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LBVBIRXKGOPXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-4-3-5-8(6)10-9-12-11-7(2)13-9/h6,8H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).