5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline

C15H14N2S2 — CID 155271247

IUPAC5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline
SMILESCc1ccc(-c2ccc(-c3cnsc3C)cc2N)s1
InChIInChI=1S/C15H14N2S2/c1-9-3-6-15(18-9)12-5-4-11(7-14(12)16)13-8-17-19-10(13)2/h3-8H,16H2,1-2H3
InChIKeyMSVFZBWQVGHCEB-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.74
Rot. Bonds2

About 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline

5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline (PubChem CID 155271247) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline
PubChem CID155271247
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline
SMILESCc1ccc(-c2ccc(-c3cnsc3C)cc2N)s1
InChIInChI=1S/C15H14N2S2/c1-9-3-6-15(18-9)12-5-4-11(7-14(12)16)13-8-17-19-10(13)2/h3-8H,16H2,1-2H3
InChIKeyMSVFZBWQVGHCEB-UHFFFAOYSA-N
XLogP4.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.74
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
2-(3-Fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline
CID 155280112
3-(1,2-Thiazol-5-ylmethyl)aniline
CID 57222258
2-Methyl-5-(1,2-thiazol-5-yl)aniline
CID 68653948
3-Methyl-5-(1,2-thiazol-5-yl)aniline
CID 68654015
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline?
The IUPAC name of 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline (CID 155271247) is 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline.
What is the SMILES notation for 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline?
The canonical SMILES for 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline is Cc1ccc(-c2ccc(-c3cnsc3C)cc2N)s1.
What is the InChIKey of 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline?
The InChIKey is MSVFZBWQVGHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-9-3-6-15(18-9)12-5-4-11(7-14(12)16)13-8-17-19-10(13)2/h3-8H,16H2,1-2H3.
What are the key properties of 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline?
5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline has a molecular weight of 286.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-thiazol-4-yl)-2-(5-methylthiophen-2-yl)aniline is sourced from PubChem (CID 155271247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).