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

C12H10N2S2 — CID 2735376

IUPAC3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
SMILESCc1csc(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C12H10N2S2/c1-7-6-15-11(13)10(7)12-14-8-4-2-3-5-9(8)16-12/h2-6H,13H2,1H3
InChIKeyYXXFAQKMMOVVIA-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.92
Rot. Bonds1

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

3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine (PubChem CID 2735376) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
PubChem CID2735376
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
SMILESCc1csc(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C12H10N2S2/c1-7-6-15-11(13)10(7)12-14-8-4-2-3-5-9(8)16-12/h2-6H,13H2,1H3
InChIKeyYXXFAQKMMOVVIA-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

5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
2-[2,6-bis(4-methylphenyl)phenyl]-1,3-benzothiazole
CID 102455086
N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-nitrobenzenesulfonamide
CID 45267962
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
3-(1,3-benzothiazol-2-yl)-7-propan-2-yl-4,5,6,8-tetrahydrothieno[2,3-c]azepin-2-amine
CID 71006853
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
5-(1,3-benzothiazol-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
CID 3654738
3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine
CID 54886401
5-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoate
CID 6975808
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine (CID 2735376) is 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine is Cc1csc(N)c1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
The InChIKey is YXXFAQKMMOVVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-7-6-15-11(13)10(7)12-14-8-4-2-3-5-9(8)16-12/h2-6H,13H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine?
3-(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 3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine is sourced from PubChem (CID 2735376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).