[6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate

C19H14N4O3S — CID 70148592

IUPAC[6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate
SMILESCc1ccc2ncccc2c1NC(=O)c1ccc2nc(OC(N)=O)sc2c1
InChIInChI=1S/C19H14N4O3S/c1-10-4-6-13-12(3-2-8-21-13)16(10)23-17(24)11-5-7-14-15(9-11)27-19(22-14)26-18(20)25/h2-9H,1H3,(H2,20,25)(H,23,24)
InChIKeyLMWFZNXQTKWSHI-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.86
Rot. Bonds3

About [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate

[6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate (PubChem CID 70148592) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate.

Molecular Properties

Compound Name[6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate
PubChem CID70148592
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name[6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate
SMILESCc1ccc2ncccc2c1NC(=O)c1ccc2nc(OC(N)=O)sc2c1
InChIInChI=1S/C19H14N4O3S/c1-10-4-6-13-12(3-2-8-21-13)16(10)23-17(24)11-5-7-14-15(9-11)27-19(22-14)26-18(20)25/h2-9H,1H3,(H2,20,25)(H,23,24)
InChIKeyLMWFZNXQTKWSHI-UHFFFAOYSA-N
XLogP3.86
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate?
The IUPAC name of [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate (CID 70148592) is [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate.
What is the SMILES notation for [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate?
The canonical SMILES for [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate is Cc1ccc2ncccc2c1NC(=O)c1ccc2nc(OC(N)=O)sc2c1.
What is the InChIKey of [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate?
The InChIKey is LMWFZNXQTKWSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-10-4-6-13-12(3-2-8-21-13)16(10)23-17(24)11-5-7-14-15(9-11)27-19(22-14)26-18(20)25/h2-9H,1H3,(H2,20,25)(H,23,24).
What are the key properties of [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate?
[6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate has a molecular weight of 378.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methylquinolin-5-yl)carbamoyl]-1,3-benzothiazol-2-yl] carbamate is sourced from PubChem (CID 70148592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).