[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone

C19H18N2OS — CID 3446763

IUPAC[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
SMILESCn1cccc1C1SCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2OS/c1-20-10-4-7-17(20)19-21(11-12-23-19)18(22)16-9-8-14-5-2-3-6-15(14)13-16/h2-10,13,19H,11-12H2,1H3
InChIKeyHDGDRNPQXKCDJV-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.07
Rot. Bonds2

About [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone

[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 3446763) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID3446763
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
SMILESCn1cccc1C1SCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2OS/c1-20-10-4-7-17(20)19-21(11-12-23-19)18(22)16-9-8-14-5-2-3-6-15(14)13-16/h2-10,13,19H,11-12H2,1H3
InChIKeyHDGDRNPQXKCDJV-UHFFFAOYSA-N
XLogP4.07
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 7397609
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 1024438
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
N-(2,3-dichlorophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 42781193
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 815703
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
naphthalene-2-carboxylic acid
CID 175967775
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone (CID 3446763) is [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone is Cn1cccc1C1SCCN1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is HDGDRNPQXKCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-20-10-4-7-17(20)19-21(11-12-23-19)18(22)16-9-8-14-5-2-3-6-15(14)13-16/h2-10,13,19H,11-12H2,1H3.
What are the key properties of [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 3446763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).