3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine

C11H12N2S — CID 169473733

IUPAC3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc2ncsc2c1
InChIInChI=1S/C11H12N2S/c1-12-6-2-3-9-4-5-10-11(7-9)14-8-13-10/h2-5,7-8,12H,6H2,1H3
InChIKeyNWRDLCLABGUHPT-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.53
Rot. Bonds3

About 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine

3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine (PubChem CID 169473733) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine
PubChem CID169473733
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc2ncsc2c1
InChIInChI=1S/C11H12N2S/c1-12-6-2-3-9-4-5-10-11(7-9)14-8-13-10/h2-5,7-8,12H,6H2,1H3
InChIKeyNWRDLCLABGUHPT-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-6-yl)but-3-ene-1-thiol
CID 170478464
6-(4-chlorobut-1-enyl)-1,3-benzothiazole
CID 170499284
(E)-3-(1,3-benzothiazol-6-yl)prop-2-enoic acid
CID 83854400
(1E,6E)-1,7-bis(1,3-benzothiazol-6-yl)-4-methylhepta-1,6-diene-3,5-dione
CID 73331494
(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine
CID 117281993
3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
CID 169474297
4-(1,3-benzothiazol-5-yl)but-3-enoic acid
CID 170483700
5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
CID 169473070
benzyl N-[3-(1,3-benzothiazol-5-yl)prop-2-enyl]carbamate
CID 169471752
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
CID 169473192
(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
CID 162346643

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine (CID 169473733) is 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine is CNCC=Cc1ccc2ncsc2c1.
What is the InChIKey of 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine?
The InChIKey is NWRDLCLABGUHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-12-6-2-3-9-4-5-10-11(7-9)14-8-13-10/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine?
3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine has a molecular weight of 204.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-6-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).