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

C16H12N2O2S — CID 671741

IUPACphenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2ccccc2)cs1)Oc1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-16(20-13-9-5-2-6-10-13)18-15-17-14(11-21-15)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKeyMTXPTQRTULVZAZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.42
Rot. Bonds3

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

phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 671741) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
PubChem CID671741
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Namephenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2ccccc2)cs1)Oc1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-16(20-13-9-5-2-6-10-13)18-15-17-14(11-21-15)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKeyMTXPTQRTULVZAZ-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate (CID 671741) is phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate is O=C(Nc1nc(-c2ccccc2)cs1)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is MTXPTQRTULVZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-16(20-13-9-5-2-6-10-13)18-15-17-14(11-21-15)12-7-3-1-4-8-12/h1-11H,(H,17,18,19).
What are the key properties of phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate?
phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 296.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 671741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).