5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine

C13H21ClN2S — CID 155180037

IUPAC5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCCCCC1(CCC)Cc2sc(Cl)nc2C1N
InChIInChI=1S/C13H21ClN2S/c1-3-5-7-13(6-4-2)8-9-10(11(13)15)16-12(14)17-9/h11H,3-8,15H2,1-2H3
InChIKeyHDZVCYFTTUSXOC-UHFFFAOYSA-N
MW272.84 g/mol
LogP4.33
Rot. Bonds5

About 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine

5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (PubChem CID 155180037) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.

Molecular Properties

Compound Name5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
PubChem CID155180037
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCCCCC1(CCC)Cc2sc(Cl)nc2C1N
InChIInChI=1S/C13H21ClN2S/c1-3-5-7-13(6-4-2)8-9-10(11(13)15)16-12(14)17-9/h11H,3-8,15H2,1-2H3
InChIKeyHDZVCYFTTUSXOC-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The IUPAC name of 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (CID 155180037) is 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.
What is the SMILES notation for 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The canonical SMILES for 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is CCCCC1(CCC)Cc2sc(Cl)nc2C1N.
What is the InChIKey of 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The InChIKey is HDZVCYFTTUSXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-3-5-7-13(6-4-2)8-9-10(11(13)15)16-12(14)17-9/h11H,3-8,15H2,1-2H3.
What are the key properties of 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine has a molecular weight of 272.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is sourced from PubChem (CID 155180037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).