N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C11H12N4O2S2 — CID 10709059

IUPACN-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(N)=S)n2)o1
InChIInChI=1S/C11H12N4O2S2/c1-6(16)13-4-7-2-3-9(17-7)8-5-19-11(14-8)15-10(12)18/h2-3,5H,4H2,1H3,(H,13,16)(H3,12,14,15,18)
InChIKeyXYQHTXBSZZYMMQ-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.69
Rot. Bonds4

About N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10709059) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10709059
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC NameN-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(N)=S)n2)o1
InChIInChI=1S/C11H12N4O2S2/c1-6(16)13-4-7-2-3-9(17-7)8-5-19-11(14-8)15-10(12)18/h2-3,5H,4H2,1H3,(H,13,16)(H3,12,14,15,18)
InChIKeyXYQHTXBSZZYMMQ-UHFFFAOYSA-N
XLogP1.69
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide 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 N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10709059) is N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(NC(N)=S)n2)o1.
What is the InChIKey of N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is XYQHTXBSZZYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-6(16)13-4-7-2-3-9(17-7)8-5-19-11(14-8)15-10(12)18/h2-3,5H,4H2,1H3,(H,13,16)(H3,12,14,15,18).
What are the key properties of N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 296.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(carbamothioylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10709059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).