methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate

C18H14N2O3S — CID 851892

IUPACmethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H14N2O3S/c1-23-18(22)20-17-19-14(12-8-4-2-5-9-12)16(24-17)15(21)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,20,22)
InChIKeyLEXZXNMSSMJPKV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.22
Rot. Bonds4

About methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate

methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 851892) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
PubChem CID851892
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Namemethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H14N2O3S/c1-23-18(22)20-17-19-14(12-8-4-2-5-9-12)16(24-17)15(21)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,20,22)
InChIKeyLEXZXNMSSMJPKV-UHFFFAOYSA-N
XLogP4.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate (CID 851892) is methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate is COC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is LEXZXNMSSMJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-23-18(22)20-17-19-14(12-8-4-2-5-9-12)16(24-17)15(21)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,20,22).
What are the key properties of methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 338.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 851892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).