5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine

C12H10N2S2 — CID 24711318

IUPAC5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc2ccccc2s1
InChIInChI=1S/C12H10N2S2/c1-7-6-10(13)16-11(7)12-14-8-4-2-3-5-9(8)15-12/h2-6H,13H2,1H3
InChIKeyULKUJLUUHZEIGI-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.92
Rot. Bonds1

About 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine

5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine (PubChem CID 24711318) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
PubChem CID24711318
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc2ccccc2s1
InChIInChI=1S/C12H10N2S2/c1-7-6-10(13)16-11(7)12-14-8-4-2-3-5-9(8)15-12/h2-6H,13H2,1H3
InChIKeyULKUJLUUHZEIGI-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305023
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 2735376
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
2-[4-[4,6-bis[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-1,3-benzothiazole
CID 139660511
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine
CID 54886401
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
5-(1,3-benzothiazol-2-yl)-2-bromoaniline
CID 762786
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine (CID 24711318) is 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
The InChIKey is ULKUJLUUHZEIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-7-6-10(13)16-11(7)12-14-8-4-2-3-5-9(8)15-12/h2-6H,13H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine has a molecular weight of 246.36 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine is sourced from PubChem (CID 24711318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).