[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate

C6H8N2O2S — CID 174645355

IUPAC[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
SMILESNC(Cc1cscn1)OC=O
InChIInChI=1S/C6H8N2O2S/c7-6(10-4-9)1-5-2-11-3-8-5/h2-4,6H,1,7H2
InChIKeyNGLOTHILUAVHAQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.14
Rot. Bonds4

About [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate

[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate (PubChem CID 174645355) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate.

Molecular Properties

Compound Name[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
PubChem CID174645355
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
SMILESNC(Cc1cscn1)OC=O
InChIInChI=1S/C6H8N2O2S/c7-6(10-4-9)1-5-2-11-3-8-5/h2-4,6H,1,7H2
InChIKeyNGLOTHILUAVHAQ-UHFFFAOYSA-N
XLogP0.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174555012
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
CID 122628350
1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65017845
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139092
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
1,3-thiazol-4-ylmethyl acetate
CID 45117618
1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65018114

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate?
The IUPAC name of [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate (CID 174645355) is [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate.
What is the SMILES notation for [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate?
The canonical SMILES for [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate is NC(Cc1cscn1)OC=O.
What is the InChIKey of [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate?
The InChIKey is NGLOTHILUAVHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-6(10-4-9)1-5-2-11-3-8-5/h2-4,6H,1,7H2.
What are the key properties of [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate?
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate has a molecular weight of 172.21 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(1,3-thiazol-4-yl)ethyl] formate is sourced from PubChem (CID 174645355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).