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

C10H15ClN2S — CID 63388502

IUPACN-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine
SMILESClCCN(c1nccs1)C1CCCC1
InChIInChI=1S/C10H15ClN2S/c11-5-7-13(9-3-1-2-4-9)10-12-6-8-14-10/h6,8-9H,1-5,7H2
InChIKeyBEYTVWZXMOMRMI-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.13
Rot. Bonds4

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

N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine (PubChem CID 63388502) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine
PubChem CID63388502
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine
SMILESClCCN(c1nccs1)C1CCCC1
InChIInChI=1S/C10H15ClN2S/c11-5-7-13(9-3-1-2-4-9)10-12-6-8-14-10/h6,8-9H,1-5,7H2
InChIKeyBEYTVWZXMOMRMI-UHFFFAOYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.13
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-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine (CID 63388502) is N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine is ClCCN(c1nccs1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine?
The InChIKey is BEYTVWZXMOMRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c11-5-7-13(9-3-1-2-4-9)10-12-6-8-14-10/h6,8-9H,1-5,7H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine has a molecular weight of 230.76 g/mol, XLogP of 3.13, 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-1,3-thiazol-2-amine is sourced from PubChem (CID 63388502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).