tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate

C15H17N3O4S — CID 90741671

IUPACtert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ncc(CN=O)s2)cc1
InChIInChI=1S/C15H17N3O4S/c1-15(2,3)22-13(19)18-10-4-6-11(7-5-10)21-14-16-8-12(23-14)9-17-20/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyLXVFTEOMUDTAMI-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.55
Rot. Bonds5

About tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate

tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate (PubChem CID 90741671) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate
PubChem CID90741671
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Nametert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ncc(CN=O)s2)cc1
InChIInChI=1S/C15H17N3O4S/c1-15(2,3)22-13(19)18-10-4-6-11(7-5-10)21-14-16-8-12(23-14)9-17-20/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyLXVFTEOMUDTAMI-UHFFFAOYSA-N
XLogP4.55
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
CID 69433893
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CID 142798016
tert-butyl N-[4-[[5-[5-(1-acetamidoethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]oxy]phenyl]carbamate
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tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
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tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
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tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane
CID 156752068
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
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tert-butyl N-[4-[2-amino-4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]sulfanylphenyl]carbamate
CID 66808373
tert-butyl N-[4-(6-bromohexoxy)phenyl]carbamate
CID 175668643
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate (CID 90741671) is tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ncc(CN=O)s2)cc1.
What is the InChIKey of tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate?
The InChIKey is LXVFTEOMUDTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-15(2,3)22-13(19)18-10-4-6-11(7-5-10)21-14-16-8-12(23-14)9-17-20/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate?
tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate has a molecular weight of 335.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate is sourced from PubChem (CID 90741671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).