[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol

C10H9ClN2OS — CID 167458193

IUPAC[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol
SMILES[H]/N=c1\scc(CO)n1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-2-4-9(8)13-7(5-14)6-15-10(13)12/h1-4,6,12,14H,5H2/b12-10-
InChIKeySXUWPWGTSILNSK-BENRWUELSA-N
MW240.72 g/mol
LogP2.16
Rot. Bonds2

About [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol

[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol (PubChem CID 167458193) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol
PubChem CID167458193
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol
SMILES[H]/N=c1\scc(CO)n1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-2-4-9(8)13-7(5-14)6-15-10(13)12/h1-4,6,12,14H,5H2/b12-10-
InChIKeySXUWPWGTSILNSK-BENRWUELSA-N
XLogP2.16
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol?
The IUPAC name of [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol (CID 167458193) is [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol is [H]/N=c1\scc(CO)n1-c1ccccc1Cl.
What is the InChIKey of [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol?
The InChIKey is SXUWPWGTSILNSK-BENRWUELSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-3-1-2-4-9(8)13-7(5-14)6-15-10(13)12/h1-4,6,12,14H,5H2/b12-10-.
What are the key properties of [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol?
[3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol has a molecular weight of 240.72 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-2-imino-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 167458193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).