N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C18H15N5O3S2 — CID 28527645

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOCc1nnc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)s1
InChIInChI=1S/C18H15N5O3S2/c1-26-8-14-21-22-18(28-14)20-13(24)7-23-10-19-16-15(17(23)25)12(9-27-16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,20,22,24)
InChIKeyBQYFSVKHUNRKDF-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.76
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 28527645) has the molecular formula C18H15N5O3S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID28527645
Molecular FormulaC18H15N5O3S2
Molecular Weight413.48 g/mol
Exact Mass413.06
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOCc1nnc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)s1
InChIInChI=1S/C18H15N5O3S2/c1-26-8-14-21-22-18(28-14)20-13(24)7-23-10-19-16-15(17(23)25)12(9-27-16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,20,22,24)
InChIKeyBQYFSVKHUNRKDF-UHFFFAOYSA-N
XLogP2.76
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 28526981
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 20968961
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26094001
2-phenylethyl 3-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 28528248
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide
CID 30760368
3-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 28527633
propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 40883547
2-[[2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 2076409
2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide
CID 71908421

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 28527645) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is COCc1nnc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BQYFSVKHUNRKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S2/c1-26-8-14-21-22-18(28-14)20-13(24)7-23-10-19-16-15(17(23)25)12(9-27-16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,20,22,24).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 413.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 28527645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).