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

C20H18N4O2S2 — CID 39013506

IUPACN-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc3ccsc3c2=O)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H18N4O2S2/c1-12-4-5-17(13(2)8-12)24(14(3)25)20-22-15(10-28-20)9-23-11-21-16-6-7-27-18(16)19(23)26/h4-8,10-11H,9H2,1-3H3
InChIKeyXQSYCGGNAVESQH-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.26
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 39013506) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID39013506
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc3ccsc3c2=O)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H18N4O2S2/c1-12-4-5-17(13(2)8-12)24(14(3)25)20-22-15(10-28-20)9-23-11-21-16-6-7-27-18(16)19(23)26/h4-8,10-11H,9H2,1-3H3
InChIKeyXQSYCGGNAVESQH-UHFFFAOYSA-N
XLogP4.26
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 39013506) is N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(Cn2cnc3ccsc3c2=O)cs1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XQSYCGGNAVESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-12-4-5-17(13(2)8-12)24(14(3)25)20-22-15(10-28-20)9-23-11-21-16-6-7-27-18(16)19(23)26/h4-8,10-11H,9H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39013506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).