benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate

C16H13N3O3S — CID 118155175

IUPACbenzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
SMILESO=C(Nc1cccn(-c2nccs2)c1=O)OCc1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-14-13(7-4-9-19(14)15-17-8-10-23-15)18-16(21)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,21)
InChIKeyJQTTVMLIXZMWQG-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.04
Rot. Bonds4

About benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate

benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate (PubChem CID 118155175) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
PubChem CID118155175
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Namebenzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
SMILESO=C(Nc1cccn(-c2nccs2)c1=O)OCc1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-14-13(7-4-9-19(14)15-17-8-10-23-15)18-16(21)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,21)
InChIKeyJQTTVMLIXZMWQG-UHFFFAOYSA-N
XLogP3.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
CID 158312689
benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
CID 140747518
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
2-oxo-1-phenylmethoxy-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382868
benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 73023394
benzyl N-indolizin-1-ylcarbamate
CID 23187496
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate (CID 118155175) is benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate is O=C(Nc1cccn(-c2nccs2)c1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
The InChIKey is JQTTVMLIXZMWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-14-13(7-4-9-19(14)15-17-8-10-23-15)18-16(21)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,21).
What are the key properties of benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate has a molecular weight of 327.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 118155175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).