N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide

C13H19N3O3S2 — CID 154769322

IUPACN-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1(C)CCNC1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C13H19N3O3S2/c1-13(2)4-5-14-10(13)11(17)16-12-15-8-3-6-21(18,19)7-9(8)20-12/h10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyLQXYMJOLVPJPDL-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.94
Rot. Bonds2

About N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide

N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 154769322) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide
PubChem CID154769322
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC NameN-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1(C)CCNC1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C13H19N3O3S2/c1-13(2)4-5-14-10(13)11(17)16-12-15-8-3-6-21(18,19)7-9(8)20-12/h10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyLQXYMJOLVPJPDL-UHFFFAOYSA-N
XLogP0.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
CID 62941809
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
CID 144882024
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
CID 138033026
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
CID 130511969
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 119317036
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 7263648
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpiperidine-4-carboxamide
CID 106739831
trans-(1S,3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 33041019
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 54968780
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide (CID 154769322) is N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide is CC1(C)CCNC1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2.
What is the InChIKey of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LQXYMJOLVPJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-13(2)4-5-14-10(13)11(17)16-12-15-8-3-6-21(18,19)7-9(8)20-12/h10,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide?
N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154769322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).