(3-thiophen-2-ylanilino)methanol

C11H11NOS — CID 143026650

IUPAC(3-thiophen-2-ylanilino)methanol
SMILESOCNc1cccc(-c2cccs2)c1
InChIInChI=1S/C11H11NOS/c13-8-12-10-4-1-3-9(7-10)11-5-2-6-14-11/h1-7,12-13H,8H2
InChIKeyURPVPSOGKXQNLJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.78
Rot. Bonds3

About (3-thiophen-2-ylanilino)methanol

(3-thiophen-2-ylanilino)methanol (PubChem CID 143026650) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (3-thiophen-2-ylanilino)methanol.

Molecular Properties

Compound Name(3-thiophen-2-ylanilino)methanol
PubChem CID143026650
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(3-thiophen-2-ylanilino)methanol
SMILESOCNc1cccc(-c2cccs2)c1
InChIInChI=1S/C11H11NOS/c13-8-12-10-4-1-3-9(7-10)11-5-2-6-14-11/h1-7,12-13H,8H2
InChIKeyURPVPSOGKXQNLJ-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(3-thiophen-2-ylphenyl)oxamide
CID 151856111
(3-thiophen-2-ylphenyl)methanol
CID 7537586
(2S)-3-hydroxy-2-[(3-thiophen-2-ylphenyl)carbamoylamino]propanoic acid
CID 154797426
2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
CID 119708574
1-[(2S)-4-hydroxy-1-methoxy-2-methylbutan-2-yl]-3-(3-thiophen-2-ylphenyl)urea
CID 97019630
1-(1-hydroxypentan-3-yl)-3-(3-thiophen-2-ylphenyl)urea
CID 111453355
2-(3-fluorophenyl)thiophene
CID 22486407
N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide
CID 111490932
ethane;2-(3-methylphenyl)thiophene
CID 143181554
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-(3,4-diphenylphenyl)thiophene
CID 150825396

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-ylanilino)methanol?
The IUPAC name of (3-thiophen-2-ylanilino)methanol (CID 143026650) is (3-thiophen-2-ylanilino)methanol.
What is the SMILES notation for (3-thiophen-2-ylanilino)methanol?
The canonical SMILES for (3-thiophen-2-ylanilino)methanol is OCNc1cccc(-c2cccs2)c1.
What is the InChIKey of (3-thiophen-2-ylanilino)methanol?
The InChIKey is URPVPSOGKXQNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-8-12-10-4-1-3-9(7-10)11-5-2-6-14-11/h1-7,12-13H,8H2.
What are the key properties of (3-thiophen-2-ylanilino)methanol?
(3-thiophen-2-ylanilino)methanol has a molecular weight of 205.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-ylanilino)methanol is sourced from PubChem (CID 143026650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).