(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone

C14H15N3O3S2 — CID 154869059

IUPAC(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(Nc3nccs3)c2)S(=O)(=O)C1
InChIInChI=1S/C14H15N3O3S2/c1-10-8-17(22(19,20)9-10)13(18)11-3-2-4-12(7-11)16-14-15-5-6-21-14/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyOZBQASZMCRBUHB-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.31
Rot. Bonds3

About (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone

(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone (PubChem CID 154869059) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone
PubChem CID154869059
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(Nc3nccs3)c2)S(=O)(=O)C1
InChIInChI=1S/C14H15N3O3S2/c1-10-8-17(22(19,20)9-10)13(18)11-3-2-4-12(7-11)16-14-15-5-6-21-14/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyOZBQASZMCRBUHB-UHFFFAOYSA-N
XLogP2.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rubidium(1+);[3-(1,3-thiazol-2-ylamino)phenyl]carbamoylazanide
CID 143143331
trans-(1R,2R)-2-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1314180
(1R,6R)-6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1312895
N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 36818842
trans-(1S,2S)-2-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1314181
2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
CID 63654743
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
CID 75498371
(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 166211961
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
CID 114003567
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone?
The IUPAC name of (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone (CID 154869059) is (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone.
What is the SMILES notation for (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone?
The canonical SMILES for (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone is CC1CN(C(=O)c2cccc(Nc3nccs3)c2)S(=O)(=O)C1.
What is the InChIKey of (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone?
The InChIKey is OZBQASZMCRBUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-10-8-17(22(19,20)9-10)13(18)11-3-2-4-12(7-11)16-14-15-5-6-21-14/h2-7,10H,8-9H2,1H3,(H,15,16).
What are the key properties of (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone?
(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(1,3-thiazol-2-ylamino)phenyl]methanone is sourced from PubChem (CID 154869059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).