N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide

C6H10N2OS — CID 87322503

IUPACN-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide
SMILESO=CNCCN1C=CSC1
InChIInChI=1S/C6H10N2OS/c9-5-7-1-2-8-3-4-10-6-8/h3-5H,1-2,6H2,(H,7,9)
InChIKeyOUWNDGZOVOYPPR-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.21
Rot. Bonds4

About N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide

N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide (PubChem CID 87322503) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide
PubChem CID87322503
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC NameN-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide
SMILESO=CNCCN1C=CSC1
InChIInChI=1S/C6H10N2OS/c9-5-7-1-2-8-3-4-10-6-8/h3-5H,1-2,6H2,(H,7,9)
InChIKeyOUWNDGZOVOYPPR-UHFFFAOYSA-N
XLogP0.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide?
The IUPAC name of N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide (CID 87322503) is N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide?
The canonical SMILES for N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide is O=CNCCN1C=CSC1.
What is the InChIKey of N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide?
The InChIKey is OUWNDGZOVOYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c9-5-7-1-2-8-3-4-10-6-8/h3-5H,1-2,6H2,(H,7,9).
What are the key properties of N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide?
N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide has a molecular weight of 158.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-1,3-thiazol-3-yl)ethyl]formamide is sourced from PubChem (CID 87322503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).