2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C12H19N3S — CID 62751878

IUPAC2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCC1CCN(c2nc3c(s2)C(N)CCC3)C1
InChIInChI=1S/C12H19N3S/c1-8-5-6-15(7-8)12-14-10-4-2-3-9(13)11(10)16-12/h8-9H,2-7,13H2,1H3
InChIKeyDVEGHLSHNAFVOI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.33
Rot. Bonds1

About 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62751878) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62751878
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCC1CCN(c2nc3c(s2)C(N)CCC3)C1
InChIInChI=1S/C12H19N3S/c1-8-5-6-15(7-8)12-14-10-4-2-3-9(13)11(10)16-12/h8-9H,2-7,13H2,1H3
InChIKeyDVEGHLSHNAFVOI-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63168513
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66371042
2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750372
4-(7-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-diazepan-2-one
CID 65366698
2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83062024
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750280
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 79164749
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 84661798
2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63625787
2-[3-(diethylamino)pyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512716
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512884
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63168246

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62751878) is 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CC1CCN(c2nc3c(s2)C(N)CCC3)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is DVEGHLSHNAFVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-5-6-15(7-8)12-14-10-4-2-3-9(13)11(10)16-12/h8-9H,2-7,13H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 237.37 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62751878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).