5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine

C10H17N3S2 — CID 80614368

IUPAC5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSC2CCCC2)s1
InChIInChI=1S/C10H17N3S2/c1-2-11-10-13-12-9(15-10)7-14-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyYDTFUPHIZLQUJP-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.15
Rot. Bonds5

About 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine

5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80614368) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80614368
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSC2CCCC2)s1
InChIInChI=1S/C10H17N3S2/c1-2-11-10-13-12-9(15-10)7-14-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyYDTFUPHIZLQUJP-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80614368) is 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSC2CCCC2)s1.
What is the InChIKey of 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YDTFUPHIZLQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-2-11-10-13-12-9(15-10)7-14-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 243.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).