2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

C16H18N2O4S2 — CID 146128015

IUPAC2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCNS(=O)(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H18N2O4S2/c19-16(20)9-13-10-23-15(18-13)6-7-17-24(21,22)14-5-4-11-2-1-3-12(11)8-14/h4-5,8,10,17H,1-3,6-7,9H2,(H,19,20)
InChIKeyPAQNDNPRAMRUHH-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.78
Rot. Bonds7

About 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 146128015) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID146128015
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCNS(=O)(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H18N2O4S2/c19-16(20)9-13-10-23-15(18-13)6-7-17-24(21,22)14-5-4-11-2-1-3-12(11)8-14/h4-5,8,10,17H,1-3,6-7,9H2,(H,19,20)
InChIKeyPAQNDNPRAMRUHH-UHFFFAOYSA-N
XLogP1.78
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146092987
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359969
N-[2-(1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110722088
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110641628
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110395413

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 146128015) is 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCNS(=O)(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PAQNDNPRAMRUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-16(20)9-13-10-23-15(18-13)6-7-17-24(21,22)14-5-4-11-2-1-3-12(11)8-14/h4-5,8,10,17H,1-3,6-7,9H2,(H,19,20).
What are the key properties of 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 366.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 146128015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).