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

C13H15N3O2S2 — CID 107855913

IUPAC2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H15N3O2S2/c1-8-12(19-13(14)15-8)20(17,18)16-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,16H,6-7H2,1H3,(H2,14,15)
InChIKeyUBBUSJVBXIOWRN-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.48
Rot. Bonds3

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

2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 107855913) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID107855913
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H15N3O2S2/c1-8-12(19-13(14)15-8)20(17,18)16-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,16H,6-7H2,1H3,(H2,14,15)
InChIKeyUBBUSJVBXIOWRN-UHFFFAOYSA-N
XLogP1.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944445
2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63944807
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944813
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944822
2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944835
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945190
2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945410
2-amino-N-[1-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945411
2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945429
2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945591
2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63945798
2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63945799

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 107855913) is 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UBBUSJVBXIOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8-12(19-13(14)15-8)20(17,18)16-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,16H,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 309.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107855913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).