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

C19H25N3O3S2 — CID 6620108

IUPAC3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C19H25N3O3S2/c1-12-5-2-3-8-15(12)21-18(23)13-6-4-7-14(9-13)20-19-22-16-10-27(24,25)11-17(16)26-19/h4,6-7,9,12,15-17H,2-3,5,8,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyYQFQOUXJFBOSCT-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.68
Rot. Bonds3

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

3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide (PubChem CID 6620108) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide
PubChem CID6620108
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C19H25N3O3S2/c1-12-5-2-3-8-15(12)21-18(23)13-6-4-7-14(9-13)20-19-22-16-10-27(24,25)11-17(16)26-19/h4,6-7,9,12,15-17H,2-3,5,8,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyYQFQOUXJFBOSCT-UHFFFAOYSA-N
XLogP2.68
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide (CID 6620108) is 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1.
What is the InChIKey of 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide?
The InChIKey is YQFQOUXJFBOSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-12-5-2-3-8-15(12)21-18(23)13-6-4-7-14(9-13)20-19-22-16-10-27(24,25)11-17(16)26-19/h4,6-7,9,12,15-17H,2-3,5,8,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide?
3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide has a molecular weight of 407.56 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 6620108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).