(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone

C10H12N2O3S — CID 75464349

IUPAC(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H12N2O3S/c1-8-5-9(7-11-6-8)10(13)12-3-2-4-16(12,14)15/h5-7H,2-4H2,1H3
InChIKeyXZDZPKIIUQQSLH-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.57
Rot. Bonds1

About (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone

(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 75464349) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID75464349
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H12N2O3S/c1-8-5-9(7-11-6-8)10(13)12-3-2-4-16(12,14)15/h5-7H,2-4H2,1H3
InChIKeyXZDZPKIIUQQSLH-UHFFFAOYSA-N
XLogP0.57
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
N,N-Dimethylnicotinamide
CID 81444
(4-Propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719649
5-Methylnicotinamide
CID 65560
N,N-Dipropylnicotinamide
CID 139084
N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 2874016
2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one
CID 11127503
N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide
CID 44532283
(4-Ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719637
N-(phenylsulfonyl)pyridine-3-carboxamide
CID 1500233

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone (CID 75464349) is (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCCS2(=O)=O)c1.
What is the InChIKey of (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is XZDZPKIIUQQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-8-5-9(7-11-6-8)10(13)12-3-2-4-16(12,14)15/h5-7H,2-4H2,1H3.
What are the key properties of (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone?
(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 240.28 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 75464349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).