N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide

C16H15N3OS3 — CID 112765212

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CSCCS1
InChIInChI=1S/C16H15N3OS3/c20-15(14-10-21-7-8-22-14)17-12-3-1-11(2-4-12)13-9-19-5-6-23-16(19)18-13/h1-6,9,14H,7-8,10H2,(H,17,20)
InChIKeyWLRGURTZUUWWAV-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.85
Rot. Bonds3

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide (PubChem CID 112765212) has the molecular formula C16H15N3OS3 and a molecular weight of 361.52 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
PubChem CID112765212
Molecular FormulaC16H15N3OS3
Molecular Weight361.52 g/mol
Exact Mass361.04
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CSCCS1
InChIInChI=1S/C16H15N3OS3/c20-15(14-10-21-7-8-22-14)17-12-3-1-11(2-4-12)13-9-19-5-6-23-16(19)18-13/h1-6,9,14H,7-8,10H2,(H,17,20)
InChIKeyWLRGURTZUUWWAV-UHFFFAOYSA-N
XLogP3.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677624
3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119677611
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623
(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
CID 120783350
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936531
(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
CID 120917971
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119264905
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide (CID 112765212) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CSCCS1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide?
The InChIKey is WLRGURTZUUWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS3/c20-15(14-10-21-7-8-22-14)17-12-3-1-11(2-4-12)13-9-19-5-6-23-16(19)18-13/h1-6,9,14H,7-8,10H2,(H,17,20).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide has a molecular weight of 361.52 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112765212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).