N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C17H17N3OS2 — CID 52538357

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)N[C@H]3CCc4ccccc43)cc2s1
InChIInChI=1S/C17H17N3OS2/c1-20(2)17-19-16-14(23-17)9-13(22-16)15(21)18-12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12H,7-8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyJBAWYYDJXMJXBB-LBPRGKRZSA-N
MW343.48 g/mol
LogP3.84
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 52538357) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID52538357
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)N[C@H]3CCc4ccccc43)cc2s1
InChIInChI=1S/C17H17N3OS2/c1-20(2)17-19-16-14(23-17)9-13(22-16)15(21)18-12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12H,7-8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyJBAWYYDJXMJXBB-LBPRGKRZSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 46171578
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119590474
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
CID 92900192
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 164874884
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 52538357) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CN(C)c1nc2sc(C(=O)N[C@H]3CCc4ccccc43)cc2s1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is JBAWYYDJXMJXBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-20(2)17-19-16-14(23-17)9-13(22-16)15(21)18-12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12H,7-8H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 52538357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).