N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C19H16N4O2S2 — CID 9116676

IUPACN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)Cn3cnc4sccc4c3=O)s2)c1
InChIInChI=1S/C19H16N4O2S2/c1-12-3-2-4-13(7-12)8-14-9-20-19(27-14)22-16(24)10-23-11-21-17-15(18(23)25)5-6-26-17/h2-7,9,11H,8,10H2,1H3,(H,20,22,24)
InChIKeyQOGJKYMZQRTYKB-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.45
Rot. Bonds5

About N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 9116676) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID9116676
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)Cn3cnc4sccc4c3=O)s2)c1
InChIInChI=1S/C19H16N4O2S2/c1-12-3-2-4-13(7-12)8-14-9-20-19(27-14)22-16(24)10-23-11-21-17-15(18(23)25)5-6-26-17/h2-7,9,11H,8,10H2,1H3,(H,20,22,24)
InChIKeyQOGJKYMZQRTYKB-UHFFFAOYSA-N
XLogP3.45
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 9116676) is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1cccc(Cc2cnc(NC(=O)Cn3cnc4sccc4c3=O)s2)c1.
What is the InChIKey of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QOGJKYMZQRTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-12-3-2-4-13(7-12)8-14-9-20-19(27-14)22-16(24)10-23-11-21-17-15(18(23)25)5-6-26-17/h2-7,9,11H,8,10H2,1H3,(H,20,22,24).
What are the key properties of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 396.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 9116676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).