N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide

C19H27N3O3S2 — CID 90532413

IUPACN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1
InChIInChI=1S/C19H27N3O3S2/c1-2-27(24,25)22-4-3-15-16(11-22)26-18(20-15)21-17(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,2-11H2,1H3,(H,20,21,23)
InChIKeyQQDFMJBOMQMKEK-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.01
Rot. Bonds4

About N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide (PubChem CID 90532413) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide
PubChem CID90532413
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1
InChIInChI=1S/C19H27N3O3S2/c1-2-27(24,25)22-4-3-15-16(11-22)26-18(20-15)21-17(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,2-11H2,1H3,(H,20,21,23)
InChIKeyQQDFMJBOMQMKEK-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90532572
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 90532599
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-methylthiophene-2-carboxamide
CID 90532560
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 5173800
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90532526
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 90532370
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532543
3,4,5-triethoxy-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532439
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
CID 90532430

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide (CID 90532413) is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide is CCS(=O)(=O)N1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1.
What is the InChIKey of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide?
The InChIKey is QQDFMJBOMQMKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-2-27(24,25)22-4-3-15-16(11-22)26-18(20-15)21-17(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,2-11H2,1H3,(H,20,21,23).
What are the key properties of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide?
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 90532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).