N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C22H18N8O2S2 — CID 24513193

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C22H18N8O2S2/c1-29-22(26-27-28-29)34-13-19(31)23-16-8-4-15(5-9-16)20(32)24-17-6-2-14(3-7-17)18-12-30-10-11-33-21(30)25-18/h2-12H,13H2,1H3,(H,23,31)(H,24,32)
InChIKeyQSZNUKMDWFDDCT-UHFFFAOYSA-N
MW490.57 g/mol
LogP3.57
Rot. Bonds7

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 24513193) has the molecular formula C22H18N8O2S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID24513193
Molecular FormulaC22H18N8O2S2
Molecular Weight490.57 g/mol
Exact Mass490.10
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C22H18N8O2S2/c1-29-22(26-27-28-29)34-13-19(31)23-16-8-4-15(5-9-16)20(32)24-17-6-2-14(3-7-17)18-12-30-10-11-33-21(30)25-18/h2-12H,13H2,1H3,(H,23,31)(H,24,32)
InChIKeyQSZNUKMDWFDDCT-UHFFFAOYSA-N
XLogP3.57
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide 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-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 24660493
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
CID 46674582
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 112765195
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 35607833
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039186
N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24666834
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
2-(1-methyltetrazol-5-yl)sulfanyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036732

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 24513193) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is QSZNUKMDWFDDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2S2/c1-29-22(26-27-28-29)34-13-19(31)23-16-8-4-15(5-9-16)20(32)24-17-6-2-14(3-7-17)18-12-30-10-11-33-21(30)25-18/h2-12H,13H2,1H3,(H,23,31)(H,24,32).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 490.57 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 24513193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).