N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine

C13H18N2S — CID 79872914

IUPACN-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2S/c1-4-7-14-10(3)13-15-11-6-5-9(2)8-12(11)16-13/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyZXCWSPJMTVCGGC-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine

N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79872914) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
PubChem CID79872914
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2S/c1-4-7-14-10(3)13-15-11-6-5-9(2)8-12(11)16-13/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyZXCWSPJMTVCGGC-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(6-chloro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873391
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873288
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
CID 43402097
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
2-[chloro(phenyl)methyl]-6-methyl-1,3-benzothiazole
CID 79142998
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
(1S)-3-isocyano-1-(6-methyl-1,3-benzothiazol-2-yl)propan-1-ol
CID 58665946
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79143288
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine (CID 79872914) is N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine is CCCNC(C)c1nc2ccc(C)cc2s1.
What is the InChIKey of N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ZXCWSPJMTVCGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-4-7-14-10(3)13-15-11-6-5-9(2)8-12(11)16-13/h5-6,8,10,14H,4,7H2,1-3H3.
What are the key properties of N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 234.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79872914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).