N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C16H19N7O2S — CID 10714393

IUPACN-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3cnc[nH]3)n2)o1
InChIInChI=1S/C16H19N7O2S/c1-10(24)20-7-12-2-3-14(25-12)13-8-26-16(22-13)23-15(17)19-5-4-11-6-18-9-21-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,21)(H,20,24)(H3,17,19,22,23)
InChIKeyBBOXHOWOGVMOJC-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.73
Rot. Bonds7

About N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10714393) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10714393
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC NameN-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3cnc[nH]3)n2)o1
InChIInChI=1S/C16H19N7O2S/c1-10(24)20-7-12-2-3-14(25-12)13-8-26-16(22-13)23-15(17)19-5-4-11-6-18-9-21-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,21)(H,20,24)(H3,17,19,22,23)
InChIKeyBBOXHOWOGVMOJC-UHFFFAOYSA-N
XLogP1.73
TPSA134.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-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-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10714393) is N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3cnc[nH]3)n2)o1.
What is the InChIKey of N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is BBOXHOWOGVMOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-10(24)20-7-12-2-3-14(25-12)13-8-26-16(22-13)23-15(17)19-5-4-11-6-18-9-21-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,21)(H,20,24)(H3,17,19,22,23).
What are the key properties of N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10714393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).