ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate

C9H15N3O2S — CID 115616332

IUPACethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNCc1cscn1
InChIInChI=1S/C9H15N3O2S/c1-2-14-9(13)11-4-3-10-5-8-6-15-7-12-8/h6-7,10H,2-5H2,1H3,(H,11,13)
InChIKeyACTGNIKXIARDTD-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.98
Rot. Bonds6

About ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate

ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate (PubChem CID 115616332) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
PubChem CID115616332
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nameethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNCc1cscn1
InChIInChI=1S/C9H15N3O2S/c1-2-14-9(13)11-4-3-10-5-8-6-15-7-12-8/h6-7,10H,2-5H2,1H3,(H,11,13)
InChIKeyACTGNIKXIARDTD-UHFFFAOYSA-N
XLogP0.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
CID 79478623
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride
CID 115616317
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
CID 20567703
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate (CID 115616332) is ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate is CCOC(=O)NCCNCc1cscn1.
What is the InChIKey of ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate?
The InChIKey is ACTGNIKXIARDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-14-9(13)11-4-3-10-5-8-6-15-7-12-8/h6-7,10H,2-5H2,1H3,(H,11,13).
What are the key properties of ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate?
ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate has a molecular weight of 229.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 115616332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).