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

C10H8N2O2S — CID 651148

IUPACphenyl N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)Oc1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-10(12-9-11-6-7-15-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyCXVVRXLSXHPYDR-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.75
Rot. Bonds2

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

phenyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 651148) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is phenyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1,3-thiazol-2-yl)carbamate
PubChem CID651148
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Namephenyl N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)Oc1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-10(12-9-11-6-7-15-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyCXVVRXLSXHPYDR-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(1,3-thiazol-2-yl)carbamate (CID 651148) is phenyl N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(1,3-thiazol-2-yl)carbamate is O=C(Nc1nccs1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is CXVVRXLSXHPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-10(12-9-11-6-7-15-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13).
What are the key properties of phenyl N-(1,3-thiazol-2-yl)carbamate?
phenyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 220.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 651148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).