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

C16H20N2O2S2 — CID 141057830

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
SMILESCc1csc(S(=O)(=O)N(c2ccc3c(c2)CCC3)C(C)C)n1
InChIInChI=1S/C16H20N2O2S2/c1-11(2)18(22(19,20)16-17-12(3)10-21-16)15-8-7-13-5-4-6-14(13)9-15/h7-11H,4-6H2,1-3H3
InChIKeyWFKOYRAJMXPJFV-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.54
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide (PubChem CID 141057830) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
PubChem CID141057830
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
SMILESCc1csc(S(=O)(=O)N(c2ccc3c(c2)CCC3)C(C)C)n1
InChIInChI=1S/C16H20N2O2S2/c1-11(2)18(22(19,20)16-17-12(3)10-21-16)15-8-7-13-5-4-6-14(13)9-15/h7-11H,4-6H2,1-3H3
InChIKeyWFKOYRAJMXPJFV-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide
CID 141057828
potassium;hydride;(E)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)sulfonyl-propan-2-ylamino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenyl]prop-2-enoic acid
CID 173001297
N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
CID 141217723
N-[(2S)-2-fluoropropyl]-N-[6-[(6-formylpyridazin-3-yl)methoxy]-2,3-dihydro-1H-inden-5-yl]-4-methyl-1,3-thiazole-2-sulfonamide
CID 88911048
5-[[6-[2-fluoropropyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrazine-2-carboxylic acid
CID 58398526
N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide
CID 151592049
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
CID 115194463
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254
4-[[6-[(4-methyl-1,3-thiazol-2-yl)sulfonyl-(oxetan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid
CID 24772126
N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
CID 73412204
N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 78871932

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide (CID 141057830) is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide is Cc1csc(S(=O)(=O)N(c2ccc3c(c2)CCC3)C(C)C)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
The InChIKey is WFKOYRAJMXPJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-11(2)18(22(19,20)16-17-12(3)10-21-16)15-8-7-13-5-4-6-14(13)9-15/h7-11H,4-6H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 141057830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).