2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine

C11H14N2S2 — CID 62578110

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine
SMILESCNCC(C)Sc1nc2ccccc2s1
InChIInChI=1S/C11H14N2S2/c1-8(7-12-2)14-11-13-9-5-3-4-6-10(9)15-11/h3-6,8,12H,7H2,1-2H3
InChIKeyQVTJWDOVGQWHHA-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.00
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine

2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine (PubChem CID 62578110) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine
PubChem CID62578110
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine
SMILESCNCC(C)Sc1nc2ccccc2s1
InChIInChI=1S/C11H14N2S2/c1-8(7-12-2)14-11-13-9-5-3-4-6-10(9)15-11/h3-6,8,12H,7H2,1-2H3
InChIKeyQVTJWDOVGQWHHA-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62578544
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62578108
3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64613650
2-(1-phenylmethoxypropan-2-ylsulfanyl)-1,3-benzothiazole
CID 122379582
(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 59439351
2-[(2S)-but-3-yn-2-yl]sulfanyl-1,3-benzothiazole
CID 94044815
methyl (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 7034825
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-2-phenylpropyl]propanamide
CID 7756809
N-(1,3-benzothiazol-2-ylsulfanyl)butan-2-amine
CID 21196958
2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017038
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 53211541
3-(1,3-benzothiazol-2-ylsulfanyl)pentan-1-amine
CID 43530092

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine (CID 62578110) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine is CNCC(C)Sc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is QVTJWDOVGQWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-8(7-12-2)14-11-13-9-5-3-4-6-10(9)15-11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62578110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).