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

C18H15N3O2S3 — CID 121123599

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C18H15N3O2S3/c1-11-15(25-17(20-11)13-6-4-8-23-13)9-19-16(22)10-24-18-21-12-5-2-3-7-14(12)26-18/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyYUHRENPXGVAJGF-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.73
Rot. Bonds6

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 121123599) has the molecular formula C18H15N3O2S3 and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID121123599
Molecular FormulaC18H15N3O2S3
Molecular Weight401.54 g/mol
Exact Mass401.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C18H15N3O2S3/c1-11-15(25-17(20-11)13-6-4-8-23-13)9-19-16(22)10-24-18-21-12-5-2-3-7-14(12)26-18/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyYUHRENPXGVAJGF-UHFFFAOYSA-N
XLogP4.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-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

Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121123620
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065953
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (CID 121123599) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is Cc1nc(-c2ccco2)sc1CNC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is YUHRENPXGVAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S3/c1-11-15(25-17(20-11)13-6-4-8-23-13)9-19-16(22)10-24-18-21-12-5-2-3-7-14(12)26-18/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 401.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 121123599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).