N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide

C18H18N4O3S — CID 56764431

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cn3cncc(C)c3=O)cs2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-7-19-11-22(18(12)24)9-16(23)20-8-14-10-26-17(21-14)13-3-5-15(25-2)6-4-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyLHVUIKQPWYRVCH-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.00
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide

N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 56764431) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID56764431
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cn3cncc(C)c3=O)cs2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-7-19-11-22(18(12)24)9-16(23)20-8-14-10-26-17(21-14)13-3-5-15(25-2)6-4-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyLHVUIKQPWYRVCH-UHFFFAOYSA-N
XLogP2.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052137
4-(4-methoxyphenyl)-4-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108749253
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
N-[(4-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498403
3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121097
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 75375278
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
3-(dimethylamino)-3-ethynyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]azetidine-1-carboxamide
CID 167832452
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide (CID 56764431) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide is COc1ccc(-c2nc(CNC(=O)Cn3cncc(C)c3=O)cs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is LHVUIKQPWYRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-7-19-11-22(18(12)24)9-16(23)20-8-14-10-26-17(21-14)13-3-5-15(25-2)6-4-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56764431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).