N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide

C10H11N3S3 — CID 88623504

IUPACN-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide
SMILESCC(=S)NCc1ccsc1-c1csc(N)n1
InChIInChI=1S/C10H11N3S3/c1-6(14)12-4-7-2-3-15-9(7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14)
InChIKeyAMHCGQGJWKWURN-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.89
Rot. Bonds3

About N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide

N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide (PubChem CID 88623504) has the molecular formula C10H11N3S3 and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide.

Molecular Properties

Compound NameN-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide
PubChem CID88623504
Molecular FormulaC10H11N3S3
Molecular Weight269.42 g/mol
Exact Mass269.01
IUPAC NameN-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide
SMILESCC(=S)NCc1ccsc1-c1csc(N)n1
InChIInChI=1S/C10H11N3S3/c1-6(14)12-4-7-2-3-15-9(7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14)
InChIKeyAMHCGQGJWKWURN-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide?
The IUPAC name of N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide (CID 88623504) is N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide.
What is the SMILES notation for N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide?
The canonical SMILES for N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide is CC(=S)NCc1ccsc1-c1csc(N)n1.
What is the InChIKey of N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide?
The InChIKey is AMHCGQGJWKWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S3/c1-6(14)12-4-7-2-3-15-9(7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide?
N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide has a molecular weight of 269.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]ethanethioamide is sourced from PubChem (CID 88623504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).