[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate

C14H17N3O3S — CID 141158225

IUPAC[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ncc(Oc2ccc(N)cc2)s1
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)17-12(18)20-13-16-8-11(21-13)19-10-6-4-9(15)5-7-10/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyJNNXNLVUDJVCNK-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.40
Rot. Bonds3

About [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate

[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate (PubChem CID 141158225) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate
PubChem CID141158225
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ncc(Oc2ccc(N)cc2)s1
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)17-12(18)20-13-16-8-11(21-13)19-10-6-4-9(15)5-7-10/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyJNNXNLVUDJVCNK-UHFFFAOYSA-N
XLogP3.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
CID 141158237
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate
CID 174617515
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198327
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
[4-[[5-amino-2-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl] N-tert-butylcarbamate
CID 174817692
phenyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198521
(5-iodo-4-methyl-1,3-thiazol-2-yl) N-tert-butylcarbamate
CID 174619015
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline
CID 66523732

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
The IUPAC name of [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate (CID 141158225) is [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ncc(Oc2ccc(N)cc2)s1.
What is the InChIKey of [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
The InChIKey is JNNXNLVUDJVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(2,3)17-12(18)20-13-16-8-11(21-13)19-10-6-4-9(15)5-7-10/h4-8H,15H2,1-3H3,(H,17,18).
What are the key properties of [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate has a molecular weight of 307.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 141158225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).