N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C16H19N3OS — CID 103795576

IUPACN-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)C1CC2CCCCC2N1
InChIInChI=1S/C16H19N3OS/c20-16(14-7-10-3-1-2-4-12(10)19-14)18-11-5-6-13-15(8-11)21-9-17-13/h5-6,8-10,12,14,19H,1-4,7H2,(H,18,20)
InChIKeyAQTULAYMLKHFQN-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.16
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 103795576) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID103795576
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)C1CC2CCCCC2N1
InChIInChI=1S/C16H19N3OS/c20-16(14-7-10-3-1-2-4-12(10)19-14)18-11-5-6-13-15(8-11)21-9-17-13/h5-6,8-10,12,14,19H,1-4,7H2,(H,18,20)
InChIKeyAQTULAYMLKHFQN-UHFFFAOYSA-N
XLogP3.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide 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

N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoic acid
CID 61157479
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342235
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
N-[4-(phenylcarbamoylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277181
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119326437
N-(4-bromo-3-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290156
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119276081

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 103795576) is N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(Nc1ccc2ncsc2c1)C1CC2CCCCC2N1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is AQTULAYMLKHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(14-7-10-3-1-2-4-12(10)19-14)18-11-5-6-13-15(8-11)21-9-17-13/h5-6,8-10,12,14,19H,1-4,7H2,(H,18,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 103795576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).