methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate

C12H12N2O3S — CID 22474624

IUPACmethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-11(16)9-4-2-8(3-5-9)10(15)14-12-13-6-7-18-12/h2-5H,6-7H2,1H3,(H,13,14,15)
InChIKeyJUGRWXGBESVWPC-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.31
Rot. Bonds2

About methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate

methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate (PubChem CID 22474624) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate
PubChem CID22474624
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Namemethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-11(16)9-4-2-8(3-5-9)10(15)14-12-13-6-7-18-12/h2-5H,6-7H2,1H3,(H,13,14,15)
InChIKeyJUGRWXGBESVWPC-UHFFFAOYSA-N
XLogP1.31
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate 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

methyl (2Z)-[2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-1,3-thiazol-5(4H)-ylidene]ethanoate
CID 135408458
Methyl 4-(2-((S)-1-(4-fluorophenyl)ethylamino)-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl)benzoate
CID 135590907
Ethyl 4-((2-imino-4-oxothiazolidin-5-yl)methyl)benzoate
CID 4546712
Methyl 4-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]benzoate
CID 8894901
Methyl 4-((2-iminothiazolidin-3-yl)methyl)benzoat
CID 18558732
4-[[(4-Oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester
CID 135546884
Methyl 4-(((4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)thio)methyl)benzoate
CID 135438731
Methyl 2-((2-amino-4-oxo-4,5-dihydrothiazol-5-yl)methyl)benzoate
CID 4875364
Methyl 4-[[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate
CID 2391304
methyl 4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoate
CID 1379683
Ethyl 4-[(2-imino-4-oxo-1,3-thiazolidin-5-yl)methyl]benzoate
CID 146674422
Methyl 4-(((4-hydroxy-6-methylpyrimidin-2-yl)thio)methyl)benzoate
CID 135468294

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate?
The IUPAC name of methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate (CID 22474624) is methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate is COC(=O)c1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate?
The InChIKey is JUGRWXGBESVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-11(16)9-4-2-8(3-5-9)10(15)14-12-13-6-7-18-12/h2-5H,6-7H2,1H3,(H,13,14,15).
What are the key properties of methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate?
methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate has a molecular weight of 264.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoate is sourced from PubChem (CID 22474624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).