5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline

C13H10N2S2 — CID 155271202

IUPAC5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline
SMILESNc1cc(-c2ccns2)ccc1-c1cccs1
InChIInChI=1S/C13H10N2S2/c14-11-8-9(12-5-6-15-17-12)3-4-10(11)13-2-1-7-16-13/h1-8H,14H2
InChIKeyGGWOGSUWDWBWJO-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.12
Rot. Bonds2

About 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline

5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline (PubChem CID 155271202) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline.

Molecular Properties

Compound Name5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline
PubChem CID155271202
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline
SMILESNc1cc(-c2ccns2)ccc1-c1cccs1
InChIInChI=1S/C13H10N2S2/c14-11-8-9(12-5-6-15-17-12)3-4-10(11)13-2-1-7-16-13/h1-8H,14H2
InChIKeyGGWOGSUWDWBWJO-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Fluorophenyl)-5-(1,2-thiazol-5-yl)aniline
CID 155271378
2-(5-Fluorothiophen-2-yl)-5-(5-methyl-1,2-thiazol-4-yl)aniline
CID 155271381
2-(5-Fluorothiophen-2-yl)-5-(1,2-thiazol-5-yl)aniline
CID 155271441
5-[4-(5-Fluorothiophen-2-yl)-3-nitrophenyl]-1,2-thiazole
CID 155271515
4-[4-(5-Fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole
CID 155271617
3-(1,2-Thiazol-5-ylmethyl)aniline
CID 57222258
2-Methyl-5-(1,2-thiazol-5-yl)aniline
CID 68653948
5-[2-Methyl-5-(1,2-thiazol-5-yl)phenyl]thiophen-2-amine
CID 69381490
2-(1,2-Thiazol-5-yl)aniline
CID 82599216
1,2-Benzothiazol-5-amine;2,3-dimethylthiophene
CID 142091740
2-Phenyl-5-(1,2-thiazol-5-yl)aniline
CID 155271244
5-(5-Methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline
CID 155271247

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline?
The IUPAC name of 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline (CID 155271202) is 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline.
What is the SMILES notation for 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline?
The canonical SMILES for 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline is Nc1cc(-c2ccns2)ccc1-c1cccs1.
What is the InChIKey of 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline?
The InChIKey is GGWOGSUWDWBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c14-11-8-9(12-5-6-15-17-12)3-4-10(11)13-2-1-7-16-13/h1-8H,14H2.
What are the key properties of 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline?
5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline has a molecular weight of 258.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-thiazol-5-yl)-2-thiophen-2-ylaniline is sourced from PubChem (CID 155271202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).