1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide

C8H11N3O2S — CID 59967183

IUPAC1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide
SMILES[2H]C(=O)NC(C)c1csc(CNC=O)n1
InChIInChI=1S/C8H11N3O2S/c1-6(10-5-13)7-3-14-8(11-7)2-9-4-12/h3-6H,2H2,1H3,(H,9,12)(H,10,13)/i5D
InChIKeyBSTVCLXPTCGULM-UICOGKGYSA-N
MW214.27 g/mol
LogP0.20
Rot. Bonds5

About 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide

1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide (PubChem CID 59967183) has the molecular formula C8H11N3O2S and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide.

Molecular Properties

Compound Name1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide
PubChem CID59967183
Molecular FormulaC8H11N3O2S
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide
SMILES[2H]C(=O)NC(C)c1csc(CNC=O)n1
InChIInChI=1S/C8H11N3O2S/c1-6(10-5-13)7-3-14-8(11-7)2-9-4-12/h3-6H,2H2,1H3,(H,9,12)(H,10,13)/i5D
InChIKeyBSTVCLXPTCGULM-UICOGKGYSA-N
XLogP0.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide?
The IUPAC name of 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide (CID 59967183) is 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide.
What is the SMILES notation for 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide?
The canonical SMILES for 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide is [2H]C(=O)NC(C)c1csc(CNC=O)n1.
What is the InChIKey of 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide?
The InChIKey is BSTVCLXPTCGULM-UICOGKGYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-6(10-5-13)7-3-14-8(11-7)2-9-4-12/h3-6H,2H2,1H3,(H,9,12)(H,10,13)/i5D.
What are the key properties of 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide?
1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide has a molecular weight of 214.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-N-[1-[2-(formamidomethyl)-1,3-thiazol-4-yl]ethyl]formamide is sourced from PubChem (CID 59967183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).