ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate

C6H9N3O2S — CID 175372903

IUPACethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)N(N)c1nccs1
InChIInChI=1S/C6H9N3O2S/c1-2-11-6(10)9(7)5-8-3-4-12-5/h3-4H,2,7H2,1H3
InChIKeyLYUKQQFJOSLOBZ-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.98
Rot. Bonds2

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

ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate (PubChem CID 175372903) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
PubChem CID175372903
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Nameethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)N(N)c1nccs1
InChIInChI=1S/C6H9N3O2S/c1-2-11-6(10)9(7)5-8-3-4-12-5/h3-4H,2,7H2,1H3
InChIKeyLYUKQQFJOSLOBZ-UHFFFAOYSA-N
XLogP0.98
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethoxycarbonylsulfanyl(1,3-thiazol-2-yl)carbamic acid
CID 150084977
1,3-diamino-1-(1,3-thiazol-2-yl)urea
CID 90009382
2-chloroethyl N-chloro-N-(1,3-thiazol-2-yl)carbamate
CID 91370954
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
CID 159602190
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
1,3-thiazol-2-ylmethyl 2,2-dimethylpropanoate
CID 68640764
ethyl 3-(1,3-thiazol-2-yl)but-2-enoate
CID 171145623
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371

Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate (CID 175372903) is ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate is CCOC(=O)N(N)c1nccs1.
What is the InChIKey of ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is LYUKQQFJOSLOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-11-6(10)9(7)5-8-3-4-12-5/h3-4H,2,7H2,1H3.
What are the key properties of ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate?
ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 187.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 175372903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).