ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate

C10H15N3O3S — CID 155519423

IUPACethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate
SMILESCCOC(=O)NCCCC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-2-16-10(15)12-5-3-4-8(14)13-9-11-6-7-17-9/h6-7H,2-5H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyMXFTXTYAWRNAFX-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.61
Rot. Bonds6

About ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate

ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate (PubChem CID 155519423) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate
PubChem CID155519423
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate
SMILESCCOC(=O)NCCCC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-2-16-10(15)12-5-3-4-8(14)13-9-11-6-7-17-9/h6-7H,2-5H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyMXFTXTYAWRNAFX-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate?
The IUPAC name of ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate (CID 155519423) is ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate.
What is the SMILES notation for ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate?
The canonical SMILES for ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate is CCOC(=O)NCCCC(=O)Nc1nccs1.
What is the InChIKey of ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate?
The InChIKey is MXFTXTYAWRNAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-16-10(15)12-5-3-4-8(14)13-9-11-6-7-17-9/h6-7H,2-5H2,1H3,(H,12,15)(H,11,13,14).
What are the key properties of ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate?
ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate is sourced from PubChem (CID 155519423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).