N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine

C12H19ClN2S — CID 65168874

IUPACN-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(CCCl)C2CCCC2)sc1C
InChIInChI=1S/C12H19ClN2S/c1-9-10(2)16-12(14-9)15(8-7-13)11-5-3-4-6-11/h11H,3-8H2,1-2H3
InChIKeyPTHSGOZBGKOKEV-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.75
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine

N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65168874) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65168874
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(CCCl)C2CCCC2)sc1C
InChIInChI=1S/C12H19ClN2S/c1-9-10(2)16-12(14-9)15(8-7-13)11-5-3-4-6-11/h11H,3-8H2,1-2H3
InChIKeyPTHSGOZBGKOKEV-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine (CID 65168874) is N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(CCCl)C2CCCC2)sc1C.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is PTHSGOZBGKOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-9-10(2)16-12(14-9)15(8-7-13)11-5-3-4-6-11/h11H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 258.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65168874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).