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

C10H15ClN2S — CID 114548067

IUPAC4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine
SMILESCC1(C)CCC(Nc2nc(Cl)cs2)C1
InChIInChI=1S/C10H15ClN2S/c1-10(2)4-3-7(5-10)12-9-13-8(11)6-14-9/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyOQKHUENBNCRMDE-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.79
Rot. Bonds2

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

4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine (PubChem CID 114548067) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine
PubChem CID114548067
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine
SMILESCC1(C)CCC(Nc2nc(Cl)cs2)C1
InChIInChI=1S/C10H15ClN2S/c1-10(2)4-3-7(5-10)12-9-13-8(11)6-14-9/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyOQKHUENBNCRMDE-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine (CID 114548067) is 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine is CC1(C)CCC(Nc2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine?
The InChIKey is OQKHUENBNCRMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-10(2)4-3-7(5-10)12-9-13-8(11)6-14-9/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine?
4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine has a molecular weight of 230.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114548067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).