N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide

C15H14N4O5S2 — CID 6499378

IUPACN-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]c(=O)[nH]c(=O)c3s2)cc1OC
InChIInChI=1S/C15H14N4O5S2/c1-23-8-4-3-7(5-9(8)24-2)16-10(20)6-25-15-18-12-11(26-15)13(21)19-14(22)17-12/h3-5H,6H2,1-2H3,(H,16,20)(H2,17,19,21,22)
InChIKeyQDMHLPZWVKFETM-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.42
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 6499378) has the molecular formula C15H14N4O5S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID6499378
Molecular FormulaC15H14N4O5S2
Molecular Weight394.43 g/mol
Exact Mass394.04
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]c(=O)[nH]c(=O)c3s2)cc1OC
InChIInChI=1S/C15H14N4O5S2/c1-23-8-4-3-7(5-9(8)24-2)16-10(20)6-25-15-18-12-11(26-15)13(21)19-14(22)17-12/h3-5H,6H2,1-2H3,(H,16,20)(H2,17,19,21,22)
InChIKeyQDMHLPZWVKFETM-UHFFFAOYSA-N
XLogP1.42
TPSA126.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 6499378) is N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc3[nH]c(=O)[nH]c(=O)c3s2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is QDMHLPZWVKFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S2/c1-23-8-4-3-7(5-9(8)24-2)16-10(20)6-25-15-18-12-11(26-15)13(21)19-14(22)17-12/h3-5H,6H2,1-2H3,(H,16,20)(H2,17,19,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6499378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).