5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C14H16N4O2S3 — CID 71469280

IUPAC5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESC=Cc1sc(-c2nccs2)nc1C(=O)NCCCNC(=O)CS
InChIInChI=1S/C14H16N4O2S3/c1-2-9-11(18-14(23-9)13-17-6-7-22-13)12(20)16-5-3-4-15-10(19)8-21/h2,6-7,21H,1,3-5,8H2,(H,15,19)(H,16,20)
InChIKeyAWBXFHZWLPFYHT-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.08
Rot. Bonds8

About 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71469280) has the molecular formula C14H16N4O2S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71469280
Molecular FormulaC14H16N4O2S3
Molecular Weight368.51 g/mol
Exact Mass368.04
IUPAC Name5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESC=Cc1sc(-c2nccs2)nc1C(=O)NCCCNC(=O)CS
InChIInChI=1S/C14H16N4O2S3/c1-2-9-11(18-14(23-9)13-17-6-7-22-13)12(20)16-5-3-4-15-10(19)8-21/h2,6-7,21H,1,3-5,8H2,(H,15,19)(H,16,20)
InChIKeyAWBXFHZWLPFYHT-UHFFFAOYSA-N
XLogP2.08
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71469280) is 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is C=Cc1sc(-c2nccs2)nc1C(=O)NCCCNC(=O)CS.
What is the InChIKey of 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AWBXFHZWLPFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S3/c1-2-9-11(18-14(23-9)13-17-6-7-22-13)12(20)16-5-3-4-15-10(19)8-21/h2,6-7,21H,1,3-5,8H2,(H,15,19)(H,16,20).
What are the key properties of 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-[3-[(2-sulfanylacetyl)amino]propyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71469280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).