N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

C15H19N3O4S2 — CID 118768675

IUPACN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1sc2nc(CCNC(=O)C3CCS(=O)(=O)C3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H19N3O4S2/c1-8-9(2)23-15-12(8)14(20)17-11(18-15)3-5-16-13(19)10-4-6-24(21,22)7-10/h10H,3-7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeySOINLNPZEUGDNF-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.69
Rot. Bonds4

About N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 118768675) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID118768675
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC NameN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1sc2nc(CCNC(=O)C3CCS(=O)(=O)C3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H19N3O4S2/c1-8-9(2)23-15-12(8)14(20)17-11(18-15)3-5-16-13(19)10-4-6-24(21,22)7-10/h10H,3-7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeySOINLNPZEUGDNF-UHFFFAOYSA-N
XLogP0.69
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(1,1-dioxothian-3-yl)propanamide
CID 127319719
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7250207
1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
CID 131927568
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 131924909
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)propanamide
CID 42905090
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 118766728
N-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl]acetamide
CID 39147164
N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]cyclobutanecarboxamide
CID 1453285
5,6-dimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 119400818
2-[(4-hydroxypiperidin-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60641650
(2S)-N-cyclopropyl-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 7247195

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (CID 118768675) is N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is Cc1sc2nc(CCNC(=O)C3CCS(=O)(=O)C3)[nH]c(=O)c2c1C.
What is the InChIKey of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is SOINLNPZEUGDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-8-9(2)23-15-12(8)14(20)17-11(18-15)3-5-16-13(19)10-4-6-24(21,22)7-10/h10H,3-7H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 118768675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).