N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide

C23H19N3OS — CID 164874884

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cncc(-c2nc3ccc(C(=O)N[C@@H]4CCc5ccccc54)cc3s2)c1
InChIInChI=1S/C23H19N3OS/c1-14-10-17(13-24-12-14)23-26-20-9-7-16(11-21(20)28-23)22(27)25-19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9-13,19H,6,8H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyZNTVOMHJFHHPDB-LJQANCHMSA-N
MW385.49 g/mol
LogP5.08
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 164874884) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
PubChem CID164874884
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cncc(-c2nc3ccc(C(=O)N[C@@H]4CCc5ccccc54)cc3s2)c1
InChIInChI=1S/C23H19N3OS/c1-14-10-17(13-24-12-14)23-26-20-9-7-16(11-21(20)28-23)22(27)25-19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9-13,19H,6,8H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyZNTVOMHJFHHPDB-LJQANCHMSA-N
XLogP5.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470209
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164874875
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 174199219
2-(6-cyclopropyl-3-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164874924
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010
N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide
CID 164875200
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52538357
2-(2,3-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)quinoxaline-6-carboxamide
CID 146562170
2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544471

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide (CID 164874884) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide is Cc1cncc(-c2nc3ccc(C(=O)N[C@@H]4CCc5ccccc54)cc3s2)c1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZNTVOMHJFHHPDB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-14-10-17(13-24-12-14)23-26-20-9-7-16(11-21(20)28-23)22(27)25-19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9-13,19H,6,8H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 164874884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).