2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

C17H18N4O3S — CID 58967446

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1nccs1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H18N4O3S/c1-10(2)9-13(14(22)20-16-18-7-8-25-16)21-15(23)11-5-3-4-6-12(11)19-17(21)24/h3-8,10,13H,9H2,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyBQMHATOCVWTFBK-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.37
Rot. Bonds5

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 58967446) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID58967446
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1nccs1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H18N4O3S/c1-10(2)9-13(14(22)20-16-18-7-8-25-16)21-15(23)11-5-3-4-6-12(11)19-17(21)24/h3-8,10,13H,9H2,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyBQMHATOCVWTFBK-UHFFFAOYSA-N
XLogP2.37
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829002
2-[8-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829038
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
2-[5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829044
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453
4-butyrylamino-N-thiazol-2-ylbenzamide
CID 883547
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 3463042
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
2-(isopropylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl)thiazole-5-carboxamide
CID 11256035

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 58967446) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(C)CC(C(=O)Nc1nccs1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is BQMHATOCVWTFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10(2)9-13(14(22)20-16-18-7-8-25-16)21-15(23)11-5-3-4-6-12(11)19-17(21)24/h3-8,10,13H,9H2,1-2H3,(H,19,24)(H,18,20,22).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 358.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 58967446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).