4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine

C16H15N3OS — CID 89125095

IUPAC4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(N=O)ccc1Nc1nc2c(C)ccc(C)c2s1
InChIInChI=1S/C16H15N3OS/c1-9-4-5-10(2)15-14(9)18-16(21-15)17-13-7-6-12(19-20)8-11(13)3/h4-8H,1-3H3,(H,17,18)
InChIKeyQSCWAOAFNZVEFK-UHFFFAOYSA-N
MW297.38 g/mol
LogP5.36
Rot. Bonds3

About 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine

4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine (PubChem CID 89125095) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine
PubChem CID89125095
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(N=O)ccc1Nc1nc2c(C)ccc(C)c2s1
InChIInChI=1S/C16H15N3OS/c1-9-4-5-10(2)15-14(9)18-16(21-15)17-13-7-6-12(19-20)8-11(13)3/h4-8H,1-3H3,(H,17,18)
InChIKeyQSCWAOAFNZVEFK-UHFFFAOYSA-N
XLogP5.36
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854
7-chloro-N-(2-chloro-4-nitrophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 21129901
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
copper bis(2-methyl-4-nitrosophenolate)
CID 15864874
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065111
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 17100977
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43989134
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934138

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine (CID 89125095) is 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine is Cc1cc(N=O)ccc1Nc1nc2c(C)ccc(C)c2s1.
What is the InChIKey of 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is QSCWAOAFNZVEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-9-4-5-10(2)15-14(9)18-16(21-15)17-13-7-6-12(19-20)8-11(13)3/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine?
4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-N-(2-methyl-4-nitrosophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89125095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).