5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile

C13H11N3OS — CID 16727905

IUPAC5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(NC2CCc3ccccc32)s[nH]c1=O
InChIInChI=1S/C13H11N3OS/c14-7-10-12(17)16-18-13(10)15-11-6-5-8-3-1-2-4-9(8)11/h1-4,11,15H,5-6H2,(H,16,17)
InChIKeyDKZHBMKJLIYFOH-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.41
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile

5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile (PubChem CID 16727905) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile
PubChem CID16727905
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(NC2CCc3ccccc32)s[nH]c1=O
InChIInChI=1S/C13H11N3OS/c14-7-10-12(17)16-18-13(10)15-11-6-5-8-3-1-2-4-9(8)11/h1-4,11,15H,5-6H2,(H,16,17)
InChIKeyDKZHBMKJLIYFOH-UHFFFAOYSA-N
XLogP2.41
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile 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-dihydro-1H-inden-1-ylcyanamide
CID 62483491
1,3-dimethyl-2,4-dioxo-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017645
1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017646
4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile
CID 67458087
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]thiophene-3-carbonitrile
CID 79544753
4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 68927590
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile
CID 16727906

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile (CID 16727905) is 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile is N#Cc1c(NC2CCc3ccccc32)s[nH]c1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
The InChIKey is DKZHBMKJLIYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-7-10-12(17)16-18-13(10)15-11-6-5-8-3-1-2-4-9(8)11/h1-4,11,15H,5-6H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile has a molecular weight of 257.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-1-ylamino)-3-oxo-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 16727905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).