N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H9ClN2S — CID 2378247

IUPACN-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccccc1NC1=NCCS1
InChIInChI=1S/C9H9ClN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKeyUYQJIPRKMULWTC-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.85
Rot. Bonds1

About N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2378247) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2378247
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC NameN-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccccc1NC1=NCCS1
InChIInChI=1S/C9H9ClN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKeyUYQJIPRKMULWTC-UHFFFAOYSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2378247) is N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Clc1ccccc1NC1=NCCS1.
What is the InChIKey of N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UYQJIPRKMULWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 212.71 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2378247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).