N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

C14H13N3O4S2 — CID 1312649

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1
InChIInChI=1S/C14H13N3O4S2/c1-9-8-22-14(15-9)16-12(18)6-7-17-13(19)10-4-2-3-5-11(10)23(17,20)21/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyFYSSZJRKZMCISX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.62
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (PubChem CID 1312649) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
PubChem CID1312649
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1
InChIInChI=1S/C14H13N3O4S2/c1-9-8-22-14(15-9)16-12(18)6-7-17-13(19)10-4-2-3-5-11(10)23(17,20)21/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyFYSSZJRKZMCISX-UHFFFAOYSA-N
XLogP1.62
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide 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

2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893
4-(pyrrolidin-1-ylsulfonyl)-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 2327228
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide
CID 1356309
Ethyl 2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2332698
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2679326
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 2942858
ethyl 2-(2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)thiazol-4-yl)acetate
CID 2972885
4-(4-Methyl-piperazine-1-sulfonyl)-N-(4-methyl-thiazol-2-yl)-benzamide
CID 24792428
methyl 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-1,1,4-trioxo-2H-1lambda6,3-benzothiazin-2-yl]acetate
CID 141743297

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CID 1312649) is N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is Cc1csc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The InChIKey is FYSSZJRKZMCISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-9-8-22-14(15-9)16-12(18)6-7-17-13(19)10-4-2-3-5-11(10)23(17,20)21/h2-5,8H,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 1312649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).