3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C14H16N6O3S — CID 91949737

IUPAC3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C14H16N6O3S/c1-7-6-24-13(15-7)18-9(21)5-4-8-16-10-11(17-8)19(2)14(23)20(3)12(10)22/h6H,4-5H2,1-3H3,(H,16,17)(H,15,18,21)
InChIKeyAKDACRHYLGSSRF-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.30
Rot. Bonds4

About 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 91949737) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID91949737
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C14H16N6O3S/c1-7-6-24-13(15-7)18-9(21)5-4-8-16-10-11(17-8)19(2)14(23)20(3)12(10)22/h6H,4-5H2,1-3H3,(H,16,17)(H,15,18,21)
InChIKeyAKDACRHYLGSSRF-UHFFFAOYSA-N
XLogP0.30
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 91949683
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CID 91949751
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667
3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]propanamide
CID 91948014
2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 22581331
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
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CID 71708495
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
1,3-dimethyl-8-(2-propoxyethyl)-7H-purine-2,6-dione
CID 90447937
3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-4-methylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 91949737) is 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)n1.
What is the InChIKey of 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AKDACRHYLGSSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-7-6-24-13(15-7)18-9(21)5-4-8-16-10-11(17-8)19(2)14(23)20(3)12(10)22/h6H,4-5H2,1-3H3,(H,16,17)(H,15,18,21).
What are the key properties of 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 348.39 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 91949737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).