4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine

C11H17ClN2S — CID 83151835

IUPAC4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
SMILESCCC1CCC(Nc2nc(Cl)cs2)C1C
InChIInChI=1S/C11H17ClN2S/c1-3-8-4-5-9(7(8)2)13-11-14-10(12)6-15-11/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyUTYVSWVPQQPSNF-UHFFFAOYSA-N
MW244.79 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine

4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine (PubChem CID 83151835) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
PubChem CID83151835
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
SMILESCCC1CCC(Nc2nc(Cl)cs2)C1C
InChIInChI=1S/C11H17ClN2S/c1-3-8-4-5-9(7(8)2)13-11-14-10(12)6-15-11/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyUTYVSWVPQQPSNF-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine (CID 83151835) is 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine is CCC1CCC(Nc2nc(Cl)cs2)C1C.
What is the InChIKey of 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
The InChIKey is UTYVSWVPQQPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-3-8-4-5-9(7(8)2)13-11-14-10(12)6-15-11/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine has a molecular weight of 244.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).