6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine

C12H16N2S2 — CID 79142262

IUPAC6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
SMILESCSCCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C12H16N2S2/c1-9-4-5-10-11(8-9)16-12(14-10)13-6-3-7-15-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyUGHKMCASWPNDNC-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.77
Rot. Bonds5

About 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine

6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 79142262) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
PubChem CID79142262
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
SMILESCSCCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C12H16N2S2/c1-9-4-5-10-11(8-9)16-12(14-10)13-6-3-7-15-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyUGHKMCASWPNDNC-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79526174
2-N-(3-methylsulfanylpropyl)-1,3-benzothiazole-2,6-diamine
CID 63983124
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142263
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine (CID 79142262) is 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine is CSCCCNc1nc2ccc(C)cc2s1.
What is the InChIKey of 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is UGHKMCASWPNDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9-4-5-10-11(8-9)16-12(14-10)13-6-3-7-15-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).