N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

C18H16ClN3O3S2 — CID 24789583

IUPACN-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C18H16ClN3O3S2/c19-12-4-6-13(7-5-12)20-17(23)11-2-1-3-14(8-11)21-18-22-15-9-27(24,25)10-16(15)26-18/h1-8,15-16H,9-10H2,(H,20,23)(H,21,22)
InChIKeyTUMXNZWZQGDYCU-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.27
Rot. Bonds3

About N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide (PubChem CID 24789583) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
PubChem CID24789583
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC NameN-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C18H16ClN3O3S2/c19-12-4-6-13(7-5-12)20-17(23)11-2-1-3-14(8-11)21-18-22-15-9-27(24,25)10-16(15)26-18/h1-8,15-16H,9-10H2,(H,20,23)(H,21,22)
InChIKeyTUMXNZWZQGDYCU-UHFFFAOYSA-N
XLogP3.27
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide
CID 20874999
4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-phenylethyl)benzamide
CID 3607666
[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]methanone
CID 3612823
4-[(5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(4-ethylphenyl)benzamide
CID 4176498
3-[(5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide
CID 6620108
{3-[(5,5-Dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18559161
2-[4-[(5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)amino]phenyl]-N-(m-tolyl)acetamide
CID 20874992
[3-[(5,5-Diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)amino]-4-methyl-phenyl]-(3,5-dimethylpiperidino)methanone
CID 20875075
[3-[(5,5-Dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 20875082
4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 22588432
4-({5,5-dioxo-3aH,4H,6H,6aH-5lambda6-thieno[3,4-d][1,3]thiazol-2-yl}amino)-N-(1-phenylethyl)benzamide
CID 22588435
4-acetamido-N-(4-chlorophenyl)-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 24249183

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide (CID 24789583) is N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide is O=C(Nc1ccc(Cl)cc1)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide?
The InChIKey is TUMXNZWZQGDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c19-12-4-6-13(7-5-12)20-17(23)11-2-1-3-14(8-11)21-18-22-15-9-27(24,25)10-16(15)26-18/h1-8,15-16H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide?
N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide has a molecular weight of 421.93 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 24789583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).