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

C24H20N4O3S — CID 38966939

IUPACN-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1)c1ccc(C)cc1C
InChIInChI=1S/C24H20N4O3S/c1-14-8-9-19(15(2)10-14)28(16(3)29)24-26-17(12-32-24)11-27-13-25-21-18-6-4-5-7-20(18)31-22(21)23(27)30/h4-10,12-13H,11H2,1-3H3
InChIKeyDCXHQNZANAGLPK-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.95
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38966939) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID38966939
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1)c1ccc(C)cc1C
InChIInChI=1S/C24H20N4O3S/c1-14-8-9-19(15(2)10-14)28(16(3)29)24-26-17(12-32-24)11-27-13-25-21-18-6-4-5-7-20(18)31-22(21)23(27)30/h4-10,12-13H,11H2,1-3H3
InChIKeyDCXHQNZANAGLPK-UHFFFAOYSA-N
XLogP4.95
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38966923
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39013506
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 38873758
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 46691435
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 38966908
(2-ethyl-1,3-thiazol-4-yl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 24648893
N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611468
N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16612149
3-[2-hydroxy-2-(4-methylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 111476407
methyl 5-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate
CID 71920876
N-[4-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55578087
N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38858279

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 38966939) is N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[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-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DCXHQNZANAGLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-14-8-9-19(15(2)10-14)28(16(3)29)24-26-17(12-32-24)11-27-13-25-21-18-6-4-5-7-20(18)31-22(21)23(27)30/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.52 g/mol, XLogP of 4.95, 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-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38966939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).