N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C13H21N3OS — CID 66686410

IUPACN-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCC(C)c1nc2c(s1)CC(C(=O)NCCN)CC2
InChIInChI=1S/C13H21N3OS/c1-8(2)13-16-10-4-3-9(7-11(10)18-13)12(17)15-6-5-14/h8-9H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyGDZNOIHAIIAMIT-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.45
Rot. Bonds4

About N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 66686410) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID66686410
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCC(C)c1nc2c(s1)CC(C(=O)NCCN)CC2
InChIInChI=1S/C13H21N3OS/c1-8(2)13-16-10-4-3-9(7-11(10)18-13)12(17)15-6-5-14/h8-9H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyGDZNOIHAIIAMIT-UHFFFAOYSA-N
XLogP1.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 66686410) is N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is CC(C)c1nc2c(s1)CC(C(=O)NCCN)CC2.
What is the InChIKey of N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is GDZNOIHAIIAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(2)13-16-10-4-3-9(7-11(10)18-13)12(17)15-6-5-14/h8-9H,3-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 66686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).