1,2-benzothiazol-5-amine;2,3-dimethylthiophene

C13H14N2S2 — CID 142091740

IUPAC1,2-benzothiazol-5-amine;2,3-dimethylthiophene
SMILESCc1ccsc1C.Nc1ccc2sncc2c1
InChIInChI=1S/C7H6N2S.C6H8S/c8-6-1-2-7-5(3-6)4-9-10-7;1-5-3-4-7-6(5)2/h1-4H,8H2;3-4H,1-2H3
InChIKeyWWMBCJGCJUHHBQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.24
Rot. Bonds

About 1,2-benzothiazol-5-amine;2,3-dimethylthiophene

1,2-benzothiazol-5-amine;2,3-dimethylthiophene (PubChem CID 142091740) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,2-benzothiazol-5-amine;2,3-dimethylthiophene.

Molecular Properties

Compound Name1,2-benzothiazol-5-amine;2,3-dimethylthiophene
PubChem CID142091740
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC Name1,2-benzothiazol-5-amine;2,3-dimethylthiophene
SMILESCc1ccsc1C.Nc1ccc2sncc2c1
InChIInChI=1S/C7H6N2S.C6H8S/c8-6-1-2-7-5(3-6)4-9-10-7;1-5-3-4-7-6(5)2/h1-4H,8H2;3-4H,1-2H3
InChIKeyWWMBCJGCJUHHBQ-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.24
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

1,2-Benzisothiazol-5-amine
CID 198293
5-[(1,2-Benzothiazol-5-ylamino)methyl]thiophene-2-carbonitrile
CID 164611856
N-[(5-chlorothiophen-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622452
N-(1,2-benzothiazol-5-yl)thiophene-2-sulfonamide
CID 75511045
4-Methylsulfanyl-1,2-benzothiazol-7-amine
CID 83637490
6-Fluoro-1,2-benzothiazol-5-amine
CID 177793110
3-(3-Chlorothiophen-2-yl)-1,2-benzothiazol-5-amine
CID 20634276
7-Thiophen-3-yl-1,2-benzothiazole
CID 54441746
1,2-Benzothiazole;1,2-thiazole
CID 70614342
3-Thiophen-3-yl-1,2-benzothiazol-6-amine
CID 141641419
5-(1,2-Thiazol-5-yl)-2-thiophen-2-ylaniline
CID 155271202
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 1,2-benzothiazol-5-amine;2,3-dimethylthiophene?
The IUPAC name of 1,2-benzothiazol-5-amine;2,3-dimethylthiophene (CID 142091740) is 1,2-benzothiazol-5-amine;2,3-dimethylthiophene.
What is the SMILES notation for 1,2-benzothiazol-5-amine;2,3-dimethylthiophene?
The canonical SMILES for 1,2-benzothiazol-5-amine;2,3-dimethylthiophene is Cc1ccsc1C.Nc1ccc2sncc2c1.
What is the InChIKey of 1,2-benzothiazol-5-amine;2,3-dimethylthiophene?
The InChIKey is WWMBCJGCJUHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S.C6H8S/c8-6-1-2-7-5(3-6)4-9-10-7;1-5-3-4-7-6(5)2/h1-4H,8H2;3-4H,1-2H3.
What are the key properties of 1,2-benzothiazol-5-amine;2,3-dimethylthiophene?
1,2-benzothiazol-5-amine;2,3-dimethylthiophene has a molecular weight of 262.40 g/mol, XLogP of 4.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazol-5-amine;2,3-dimethylthiophene is sourced from PubChem (CID 142091740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).