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

C10H11ClN2S — CID 3055295

IUPACN-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccccc1CNC1=NCCS1
InChIInChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChIKeyQWMSIDSRCOIJHK-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.53
Rot. Bonds2

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

N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3055295) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3055295
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC NameN-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccccc1CNC1=NCCS1
InChIInChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChIKeyQWMSIDSRCOIJHK-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3055295) is N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Clc1ccccc1CNC1=NCCS1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QWMSIDSRCOIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3055295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).