phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate

C15H12N2O3S — CID 121004815

IUPACphenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCOc1cccc2nc(NC(=O)Oc3ccccc3)sc12
InChIInChI=1S/C15H12N2O3S/c1-19-12-9-5-8-11-13(12)21-14(16-11)17-15(18)20-10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeySTQDIQMLRCAJOA-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.92
Rot. Bonds3

About phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate

phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate (PubChem CID 121004815) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
PubChem CID121004815
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Namephenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCOc1cccc2nc(NC(=O)Oc3ccccc3)sc12
InChIInChI=1S/C15H12N2O3S/c1-19-12-9-5-8-11-13(12)21-14(16-11)17-15(18)20-10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeySTQDIQMLRCAJOA-UHFFFAOYSA-N
XLogP3.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate 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

phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
CID 162365120
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
ethyl 2-(phenoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 87933804
N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 166343195
phenyl N-[6-[1-(2,6-dichlorophenyl)ethoxy]-5-fluoro-1,3-benzothiazol-2-yl]carbamate
CID 141233227
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate
CID 141233220
phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 168872990

Frequently Asked Questions

What is the IUPAC name of phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate (CID 121004815) is phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate is COc1cccc2nc(NC(=O)Oc3ccccc3)sc12.
What is the InChIKey of phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is STQDIQMLRCAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-12-9-5-8-11-13(12)21-14(16-11)17-15(18)20-10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate?
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 300.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 121004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).