phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate

C16H11ClN2O3S — CID 177198357

IUPACphenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1ncc(Oc2cccc(Cl)c2)s1)Oc1ccccc1
InChIInChI=1S/C16H11ClN2O3S/c17-11-5-4-8-13(9-11)21-14-10-18-15(23-14)19-16(20)22-12-6-2-1-3-7-12/h1-10H,(H,18,19,20)
InChIKeyWROZGVBJRZTSRE-UHFFFAOYSA-N
MW346.80 g/mol
LogP5.20
Rot. Bonds4

About phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate

phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate (PubChem CID 177198357) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate
PubChem CID177198357
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC Namephenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1ncc(Oc2cccc(Cl)c2)s1)Oc1ccccc1
InChIInChI=1S/C16H11ClN2O3S/c17-11-5-4-8-13(9-11)21-14-10-18-15(23-14)19-16(20)22-12-6-2-1-3-7-12/h1-10H,(H,18,19,20)
InChIKeyWROZGVBJRZTSRE-UHFFFAOYSA-N
XLogP5.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate (CID 177198357) is phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate is O=C(Nc1ncc(Oc2cccc(Cl)c2)s1)Oc1ccccc1.
What is the InChIKey of phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate?
The InChIKey is WROZGVBJRZTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/c17-11-5-4-8-13(9-11)21-14-10-18-15(23-14)19-16(20)22-12-6-2-1-3-7-12/h1-10H,(H,18,19,20).
What are the key properties of phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate?
phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate has a molecular weight of 346.80 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 177198357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).