N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C14H15N3OS — CID 79740729

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C14H15N3OS/c1-8-13(19-7-16-8)14(18)17-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H,17,18)
InChIKeyUWUXDKKUMFVCRN-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.45
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 79740729) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID79740729
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C14H15N3OS/c1-8-13(19-7-16-8)14(18)17-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H,17,18)
InChIKeyUWUXDKKUMFVCRN-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 142729755
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
CID 79741558
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 79741093
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 79740729) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UWUXDKKUMFVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-13(19-7-16-8)14(18)17-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79740729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).