2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine

C11H15N3S — CID 103388112

IUPAC2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
SMILESCc1nc2ccc(NC(C)CN)cc2s1
InChIInChI=1S/C11H15N3S/c1-7(6-12)13-9-3-4-10-11(5-9)15-8(2)14-10/h3-5,7,13H,6,12H2,1-2H3
InChIKeyOYCIBYJKARKKIP-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.36
Rot. Bonds3

About 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine

2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine (PubChem CID 103388112) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
PubChem CID103388112
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
SMILESCc1nc2ccc(NC(C)CN)cc2s1
InChIInChI=1S/C11H15N3S/c1-7(6-12)13-9-3-4-10-11(5-9)15-8(2)14-10/h3-5,7,13H,6,12H2,1-2H3
InChIKeyOYCIBYJKARKKIP-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
CID 79008754
N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
CID 19154623
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 124735773

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine (CID 103388112) is 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine is Cc1nc2ccc(NC(C)CN)cc2s1.
What is the InChIKey of 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine?
The InChIKey is OYCIBYJKARKKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7(6-12)13-9-3-4-10-11(5-9)15-8(2)14-10/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine?
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine has a molecular weight of 221.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine is sourced from PubChem (CID 103388112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).