[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium

C19H23N4O2S+ — CID 2161355

IUPAC[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C19H22N4O2S/c1-3-8-22(13-17(24)21-16-7-5-4-6-14(16)2)12-15-11-18(25)23-9-10-26-19(23)20-15/h4-7,9-11H,3,8,12-13H2,1-2H3,(H,21,24)/p+1
InChIKeyOWDFFAPSCDGSBK-UHFFFAOYSA-O
MW371.49 g/mol
LogP1.50
Rot. Bonds7

About [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium

[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium (PubChem CID 2161355) has the molecular formula C19H23N4O2S+ and a molecular weight of 371.49 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium
PubChem CID2161355
Molecular FormulaC19H23N4O2S+
Molecular Weight371.49 g/mol
Exact Mass371.15
IUPAC Name[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C19H22N4O2S/c1-3-8-22(13-17(24)21-16-7-5-4-6-14(16)2)12-15-11-18(25)23-9-10-26-19(23)20-15/h4-7,9-11H,3,8,12-13H2,1-2H3,(H,21,24)/p+1
InChIKeyOWDFFAPSCDGSBK-UHFFFAOYSA-O
XLogP1.50
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8779496
methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286316
[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium
CID 8678751
(7,8-dimethyl-2-oxochromen-4-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038230
N-[2-(ethylaminomethyl)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 119439637
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
CID 9038856
[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
CID 9348062
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium
CID 8810175
(4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8907616
[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
CID 8810025
(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810019

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium (CID 2161355) is [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccccc1C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium?
The InChIKey is OWDFFAPSCDGSBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O2S/c1-3-8-22(13-17(24)21-16-7-5-4-6-14(16)2)12-15-11-18(25)23-9-10-26-19(23)20-15/h4-7,9-11H,3,8,12-13H2,1-2H3,(H,21,24)/p+1.
What are the key properties of [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium?
[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium has a molecular weight of 371.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium is sourced from PubChem (CID 2161355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).