N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide

C14H19N5O5S — CID 3075380

IUPACN,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide
SMILESCn1c(=O)n(CC(=O)N(CCO)CCO)c(=O)c2c1nc1n2CCS1
InChIInChI=1S/C14H19N5O5S/c1-16-11-10(18-4-7-25-13(18)15-11)12(23)19(14(16)24)8-9(22)17(2-5-20)3-6-21/h20-21H,2-8H2,1H3
InChIKeyIUDSLGZLKJRSSU-UHFFFAOYSA-N
MW369.40 g/mol
LogP-2.18
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide

N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide (PubChem CID 3075380) has the molecular formula C14H19N5O5S and a molecular weight of 369.40 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide
PubChem CID3075380
Molecular FormulaC14H19N5O5S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC NameN,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide
SMILESCn1c(=O)n(CC(=O)N(CCO)CCO)c(=O)c2c1nc1n2CCS1
InChIInChI=1S/C14H19N5O5S/c1-16-11-10(18-4-7-25-13(18)15-11)12(23)19(14(16)24)8-9(22)17(2-5-20)3-6-21/h20-21H,2-8H2,1H3
InChIKeyIUDSLGZLKJRSSU-UHFFFAOYSA-N
XLogP-2.18
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetate
CID 3840189
2-decyl-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
CID 3097605
2-methyl-4-prop-2-ynyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
CID 153298126
8-chloro-1-(2-hydroxyethyl)-3,7-dimethylpurine-2,6-dione
CID 3048476
2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
CID 3550418
2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide
CID 171109536
9-(3,5-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 4891144
9-(4-chlorophenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 7151435
2-[6-(4-chlorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid
CID 6485048
N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886999
9-(3,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 4886238
3,7-dimethyl-1-(2-oxo-2-thiomorpholin-4-ylethyl)purine-2,6-dione
CID 56797112

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide (CID 3075380) is N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide is Cn1c(=O)n(CC(=O)N(CCO)CCO)c(=O)c2c1nc1n2CCS1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide?
The InChIKey is IUDSLGZLKJRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O5S/c1-16-11-10(18-4-7-25-13(18)15-11)12(23)19(14(16)24)8-9(22)17(2-5-20)3-6-21/h20-21H,2-8H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide?
N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide has a molecular weight of 369.40 g/mol, XLogP of -2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 3075380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).