2-methyl-N-propyl-1,3-benzothiazol-5-amine

C11H14N2S — CID 82672114

IUPAC2-methyl-N-propyl-1,3-benzothiazol-5-amine
SMILESCCCNc1ccc2sc(C)nc2c1
InChIInChI=1S/C11H14N2S/c1-3-6-12-9-4-5-11-10(7-9)13-8(2)14-11/h4-5,7,12H,3,6H2,1-2H3
InChIKeyFSQHVFVICQZJFO-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.43
Rot. Bonds3

About 2-methyl-N-propyl-1,3-benzothiazol-5-amine

2-methyl-N-propyl-1,3-benzothiazol-5-amine (PubChem CID 82672114) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-N-propyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1,3-benzothiazol-5-amine
PubChem CID82672114
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-methyl-N-propyl-1,3-benzothiazol-5-amine
SMILESCCCNc1ccc2sc(C)nc2c1
InChIInChI=1S/C11H14N2S/c1-3-6-12-9-4-5-11-10(7-9)13-8(2)14-11/h4-5,7,12H,3,6H2,1-2H3
InChIKeyFSQHVFVICQZJFO-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-octyl-1,3-benzothiazol-6-amine
CID 43682586
N-(2-methyl-1,3-benzothiazol-5-yl)dodecane-1-sulfonamide
CID 59079299
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 852255
N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3865821
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
diethyl 2-[[(2-methyl-1,3-benzothiazol-5-yl)amino]methylidene]propanedioate
CID 58678039
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-[(3,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231098
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
CID 142222190
1-(2,6-diethylphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea
CID 3848615
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-methyl-N-propyl-1,3-benzothiazol-5-amine (CID 82672114) is 2-methyl-N-propyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-methyl-N-propyl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-methyl-N-propyl-1,3-benzothiazol-5-amine is CCCNc1ccc2sc(C)nc2c1.
What is the InChIKey of 2-methyl-N-propyl-1,3-benzothiazol-5-amine?
The InChIKey is FSQHVFVICQZJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-6-12-9-4-5-11-10(7-9)13-8(2)14-11/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-1,3-benzothiazol-5-amine?
2-methyl-N-propyl-1,3-benzothiazol-5-amine has a molecular weight of 206.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 82672114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).