5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine

C11H17N3S — CID 103363356

IUPAC5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NC2CCCC2)c1C1CC1
InChIInChI=1S/C11H17N3S/c12-10-9(7-5-6-7)11(15-14-10)13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyDEUNCEQQZCFILL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.96
Rot. Bonds3

About 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine

5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine (PubChem CID 103363356) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
PubChem CID103363356
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NC2CCCC2)c1C1CC1
InChIInChI=1S/C11H17N3S/c12-10-9(7-5-6-7)11(15-14-10)13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyDEUNCEQQZCFILL-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine (CID 103363356) is 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine is Nc1nsc(NC2CCCC2)c1C1CC1.
What is the InChIKey of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The InChIKey is DEUNCEQQZCFILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-10-9(7-5-6-7)11(15-14-10)13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H2,12,14).
What are the key properties of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine has a molecular weight of 223.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).