N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine

C8H13N3S — CID 676548

IUPACN-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC2)s1
InChIInChI=1S/C8H13N3S/c1-6-10-11-8(12-6)9-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyJLLBLKYAADMGQZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.20
Rot. Bonds2

About N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine

N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 676548) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID676548
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC2)s1
InChIInChI=1S/C8H13N3S/c1-6-10-11-8(12-6)9-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyJLLBLKYAADMGQZ-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine (CID 676548) is N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JLLBLKYAADMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-10-11-8(12-6)9-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,9,11).
What are the key properties of N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine?
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 676548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).