2-(1,3-thiazole-4-carbonylamino)ethyl carbamate

C7H9N3O3S — CID 83205186

IUPAC2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cscn1
InChIInChI=1S/C7H9N3O3S/c8-7(12)13-2-1-9-6(11)5-3-14-4-10-5/h3-4H,1-2H2,(H2,8,12)(H,9,11)
InChIKeyWOLJJOVYMXWAFO-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.03
Rot. Bonds4

About 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate

2-(1,3-thiazole-4-carbonylamino)ethyl carbamate (PubChem CID 83205186) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
PubChem CID83205186
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cscn1
InChIInChI=1S/C7H9N3O3S/c8-7(12)13-2-1-9-6(11)5-3-14-4-10-5/h3-4H,1-2H2,(H2,8,12)(H,9,11)
InChIKeyWOLJJOVYMXWAFO-UHFFFAOYSA-N
XLogP-0.03
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
CID 112550667
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate?
The IUPAC name of 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate (CID 83205186) is 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate.
What is the SMILES notation for 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate?
The canonical SMILES for 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate is NC(=O)OCCNC(=O)c1cscn1.
What is the InChIKey of 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate?
The InChIKey is WOLJJOVYMXWAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-7(12)13-2-1-9-6(11)5-3-14-4-10-5/h3-4H,1-2H2,(H2,8,12)(H,9,11).
What are the key properties of 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate?
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate has a molecular weight of 215.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazole-4-carbonylamino)ethyl carbamate is sourced from PubChem (CID 83205186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).