2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine

C14H24N2S2 — CID 79577014

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1nc(C)cs1
InChIInChI=1S/C14H24N2S2/c1-3-8-15-13-6-4-5-12(13)7-9-17-14-16-11(2)10-18-14/h10,12-13,15H,3-9H2,1-2H3
InChIKeyXPKTXSQNLXPEED-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.10
Rot. Bonds7

About 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine

2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine (PubChem CID 79577014) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
PubChem CID79577014
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1nc(C)cs1
InChIInChI=1S/C14H24N2S2/c1-3-8-15-13-6-4-5-12(13)7-9-17-14-16-11(2)10-18-14/h10,12-13,15H,3-9H2,1-2H3
InChIKeyXPKTXSQNLXPEED-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine (CID 79577014) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCSc1nc(C)cs1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is XPKTXSQNLXPEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-3-8-15-13-6-4-5-12(13)7-9-17-14-16-11(2)10-18-14/h10,12-13,15H,3-9H2,1-2H3.
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine?
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79577014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).