N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C21H19N5O3S — CID 134009078

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cs2)c1
InChIInChI=1S/C21H19N5O3S/c1-12-5-4-6-13(7-12)19-24-15(11-30-19)9-17(27)23-14-8-16-18(22-10-14)25(2)21(29)26(3)20(16)28/h4-8,10-11H,9H2,1-3H3,(H,23,27)
InChIKeyNMYNBLIZTYPDJC-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.25
Rot. Bonds4

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 134009078) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID134009078
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cs2)c1
InChIInChI=1S/C21H19N5O3S/c1-12-5-4-6-13(7-12)19-24-15(11-30-19)9-17(27)23-14-8-16-18(22-10-14)25(2)21(29)26(3)20(16)28/h4-8,10-11H,9H2,1-3H3,(H,23,27)
InChIKeyNMYNBLIZTYPDJC-UHFFFAOYSA-N
XLogP2.25
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-iodobenzamide
CID 167957624
N-(6-methoxy-3-pyridinyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809068
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134009028
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 31959091
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 134009078) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cs2)c1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NMYNBLIZTYPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-12-5-4-6-13(7-12)19-24-15(11-30-19)9-17(27)23-14-8-16-18(22-10-14)25(2)21(29)26(3)20(16)28/h4-8,10-11H,9H2,1-3H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 134009078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).