N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine

C10H17N3S — CID 130578740

IUPACN-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC1(CCNc2nncs2)CCCC1
InChIInChI=1S/C10H17N3S/c1-10(4-2-3-5-10)6-7-11-9-13-12-8-14-9/h8H,2-7H2,1H3,(H,11,13)
InChIKeyQDMDJKRIIHAVOP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine

N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130578740) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID130578740
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC1(CCNc2nncs2)CCCC1
InChIInChI=1S/C10H17N3S/c1-10(4-2-3-5-10)6-7-11-9-13-12-8-14-9/h8H,2-7H2,1H3,(H,11,13)
InChIKeyQDMDJKRIIHAVOP-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 130578740) is N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine is CC1(CCNc2nncs2)CCCC1.
What is the InChIKey of N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QDMDJKRIIHAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(4-2-3-5-10)6-7-11-9-13-12-8-14-9/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylcyclopentyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130578740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).