2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide

C19H16N4O3S2 — CID 71908421

IUPAC2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)s1
InChIInChI=1S/C19H16N4O3S2/c1-11-16(28-14(21-11)8-26-2)17(24)22-23-10-20-18-15(19(23)25)13(9-27-18)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,22,24)
InChIKeyLXWOHVVVGNSGPS-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.42
Rot. Bonds5

About 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide

2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71908421) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID71908421
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)s1
InChIInChI=1S/C19H16N4O3S2/c1-11-16(28-14(21-11)8-26-2)17(24)22-23-10-20-18-15(19(23)25)13(9-27-18)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,22,24)
InChIKeyLXWOHVVVGNSGPS-UHFFFAOYSA-N
XLogP3.42
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide
CID 24513395
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CID 17469602
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28527645
4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 24538558
1-oxido-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)pyridin-1-ium-3-carboxamide
CID 24535841
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24538562
2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide
CID 2097351
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
ethyl (2S)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoate
CID 731327
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide (CID 71908421) is 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide is COCc1nc(C)c(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)s1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LXWOHVVVGNSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-11-16(28-14(21-11)8-26-2)17(24)22-23-10-20-18-15(19(23)25)13(9-27-18)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,22,24).
What are the key properties of 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide?
2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71908421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).