ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate

C13H12N2O4S2 — CID 88570151

IUPACethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccccc1C(=O)Nc1nc(S)cs1
InChIInChI=1S/C13H12N2O4S2/c1-2-18-13(17)19-9-6-4-3-5-8(9)11(16)15-12-14-10(20)7-21-12/h3-7,20H,2H2,1H3,(H,14,15,16)
InChIKeyKDHTUBWZAORARL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds4

About ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate

ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate (PubChem CID 88570151) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
PubChem CID88570151
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Nameethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccccc1C(=O)Nc1nc(S)cs1
InChIInChI=1S/C13H12N2O4S2/c1-2-18-13(17)19-9-6-4-3-5-8(9)11(16)15-12-14-10(20)7-21-12/h3-7,20H,2H2,1H3,(H,14,15,16)
InChIKeyKDHTUBWZAORARL-UHFFFAOYSA-N
XLogP3.22
TPSA77.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate 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

ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
2-[(2-ethoxybenzoyl)amino]-N-ethyl-1,3-thiazole-4-carboxamide
CID 16915665
[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate
CID 56968286
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] hexanoate
CID 57329900
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 87424539
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262

Frequently Asked Questions

What is the IUPAC name of ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate (CID 88570151) is ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccccc1C(=O)Nc1nc(S)cs1.
What is the InChIKey of ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate?
The InChIKey is KDHTUBWZAORARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-2-18-13(17)19-9-6-4-3-5-8(9)11(16)15-12-14-10(20)7-21-12/h3-7,20H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate?
ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate has a molecular weight of 324.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate is sourced from PubChem (CID 88570151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).