2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide

C18H18N4O4S — CID 53153288

IUPAC2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)cc1
InChIInChI=1S/C18H18N4O4S/c1-2-26-13-7-3-11(4-8-13)19-15(23)9-21-14-10-27-20-16(14)17(24)22(18(21)25)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,19,23)
InChIKeyQMNZRTYPGHSDDQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.99
Rot. Bonds6

About 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 53153288) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID53153288
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)cc1
InChIInChI=1S/C18H18N4O4S/c1-2-26-13-7-3-11(4-8-13)19-15(23)9-21-14-10-27-20-16(14)17(24)22(18(21)25)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,19,23)
InChIKeyQMNZRTYPGHSDDQ-UHFFFAOYSA-N
XLogP1.99
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-methylphenyl)acetamide
CID 53153267
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53153299
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
CID 53153304
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 166600511
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 16951903
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 17147912
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
CID 53153143
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17435516
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 8970461

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide (CID 53153288) is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)cc1.
What is the InChIKey of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is QMNZRTYPGHSDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-2-26-13-7-3-11(4-8-13)19-15(23)9-21-14-10-27-20-16(14)17(24)22(18(21)25)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,19,23).
What are the key properties of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 53153288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).