N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

C22H22N4O3S2 — CID 95917251

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cc(C)on2)nc2cc(-c3ccc(C)cc3)sc2c1=O
InChIInChI=1S/C22H22N4O3S2/c1-4-9-26-21(28)20-16(11-17(31-20)15-7-5-13(2)6-8-15)23-22(26)30-12-19(27)24-18-10-14(3)29-25-18/h5-8,10-11H,4,9,12H2,1-3H3,(H,24,25,27)
InChIKeyCFDIEKUGCUBIIL-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.87
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 95917251) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID95917251
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cc(C)on2)nc2cc(-c3ccc(C)cc3)sc2c1=O
InChIInChI=1S/C22H22N4O3S2/c1-4-9-26-21(28)20-16(11-17(31-20)15-7-5-13(2)6-8-15)23-22(26)30-12-19(27)24-18-10-14(3)29-25-18/h5-8,10-11H,4,9,12H2,1-3H3,(H,24,25,27)
InChIKeyCFDIEKUGCUBIIL-UHFFFAOYSA-N
XLogP4.87
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(4-methylpiperidin-1-yl)-7-oxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 53206550
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7681829
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2485913
2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650308
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 45498489
2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 46921535
N-(2,5-dimethylpyrazol-3-yl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 36621894
2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5049042
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3242940
2-[[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4999746
N-(4-chlorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850347

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (CID 95917251) is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is CCCn1c(SCC(=O)Nc2cc(C)on2)nc2cc(-c3ccc(C)cc3)sc2c1=O.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is CFDIEKUGCUBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-4-9-26-21(28)20-16(11-17(31-20)15-7-5-13(2)6-8-15)23-22(26)30-12-19(27)24-18-10-14(3)29-25-18/h5-8,10-11H,4,9,12H2,1-3H3,(H,24,25,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 454.58 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)-4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 95917251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).