[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol

C10H12N2OS — CID 141363838

IUPAC[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESNc1ccccc1C1=NC(CO)CS1
InChIInChI=1S/C10H12N2OS/c11-9-4-2-1-3-8(9)10-12-7(5-13)6-14-10/h1-4,7,13H,5-6,11H2
InChIKeyRVGHWPBZHJDNGP-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.12
Rot. Bonds2

About [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol

[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol (PubChem CID 141363838) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
PubChem CID141363838
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESNc1ccccc1C1=NC(CO)CS1
InChIInChI=1S/C10H12N2OS/c11-9-4-2-1-3-8(9)10-12-7(5-13)6-14-10/h1-4,7,13H,5-6,11H2
InChIKeyRVGHWPBZHJDNGP-UHFFFAOYSA-N
XLogP1.12
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol (CID 141363838) is [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol is Nc1ccccc1C1=NC(CO)CS1.
What is the InChIKey of [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The InChIKey is RVGHWPBZHJDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-9-4-2-1-3-8(9)10-12-7(5-13)6-14-10/h1-4,7,13H,5-6,11H2.
What are the key properties of [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
[2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol has a molecular weight of 208.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 141363838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).