5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H11ClN2S — CID 129041478

IUPAC5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(Cc2ccccc2Cl)S1
InChIInChI=1S/C10H11ClN2S/c11-9-4-2-1-3-7(9)5-8-6-13-10(12)14-8/h1-4,8H,5-6H2,(H2,12,13)
InChIKeyKTSJHIRBGHEQHX-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.31
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 129041478) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID129041478
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(Cc2ccccc2Cl)S1
InChIInChI=1S/C10H11ClN2S/c11-9-4-2-1-3-7(9)5-8-6-13-10(12)14-8/h1-4,8H,5-6H2,(H2,12,13)
InChIKeyKTSJHIRBGHEQHX-UHFFFAOYSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 129041478) is 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is NC1=NCC(Cc2ccccc2Cl)S1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KTSJHIRBGHEQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-7(9)5-8-6-13-10(12)14-8/h1-4,8H,5-6H2,(H2,12,13).
What are the key properties of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 129041478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).