2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol

C16H13NOS — CID 744673

IUPAC2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol
SMILESC/C(=N\c1ccccc1)c1sc2ccccc2c1O
InChIInChI=1S/C16H13NOS/c1-11(17-12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)19-16/h2-10,18H,1H3/b17-11+
InChIKeyOWBIXPDECLROKM-GZTJUZNOSA-N
MW267.35 g/mol
LogP4.75
Rot. Bonds2

About 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol

2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol (PubChem CID 744673) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol
PubChem CID744673
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol
SMILESC/C(=N\c1ccccc1)c1sc2ccccc2c1O
InChIInChI=1S/C16H13NOS/c1-11(17-12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)19-16/h2-10,18H,1H3/b17-11+
InChIKeyOWBIXPDECLROKM-GZTJUZNOSA-N
XLogP4.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[1-(4-hydroxyanilino)ethylidene]-1-benzothiophen-3-one
CID 661751
2-(Phenyl-hydrazono)-benzo[b]thiophen-3-one
CID 917269
(2Z)-2-[1-(4-methoxyanilino)ethylidene]-1-benzothiophen-3-one
CID 930479
(2E)-2-{[(3-Nitrophenyl)amino]methylidene}-2,3-dihydro-1-benzothiophen-3-one
CID 2329528
2-{[Benzylamino]methylene}benzo[b]thiophen-3-one
CID 805039
2-[4-(2-thienyl)-3H-1,5-benzodiazepin-2-yl]phenol
CID 889233
(2Z)-2-(anilinomethylidene)-1-benzothiophen-3-one
CID 2858319
2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one
CID 3284301
2-{1-[(2,4-dimethylphenyl)amino]ethylidene}-1-benzothiophen-3(2H)-one
CID 3684350
(2Z)-2-[1-(3-hydroxyanilino)ethylidene]-1-benzothiophen-3-one
CID 658867
(2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one
CID 744678
(2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one
CID 915950

Frequently Asked Questions

What is the IUPAC name of 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol?
The IUPAC name of 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol (CID 744673) is 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol?
The canonical SMILES for 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol is C/C(=N\c1ccccc1)c1sc2ccccc2c1O.
What is the InChIKey of 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol?
The InChIKey is OWBIXPDECLROKM-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11(17-12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)19-16/h2-10,18H,1H3/b17-11+.
What are the key properties of 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol?
2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol has a molecular weight of 267.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-methyl-N-phenylcarbonimidoyl)-1-benzothiophen-3-ol is sourced from PubChem (CID 744673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).