2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

C16H16N4O2S2 — CID 23914436

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1nccs1
InChIInChI=1S/C16H16N4O2S2/c1-3-12(13(21)19-15-17-8-9-23-15)24-16-18-11-7-5-4-6-10(11)14(22)20(16)2/h4-9,12H,3H2,1-2H3,(H,17,19,21)
InChIKeyCNAWWGALRXLWPQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.90
Rot. Bonds5

About 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 23914436) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID23914436
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1nccs1
InChIInChI=1S/C16H16N4O2S2/c1-3-12(13(21)19-15-17-8-9-23-15)24-16-18-11-7-5-4-6-10(11)14(22)20(16)2/h4-9,12H,3H2,1-2H3,(H,17,19,21)
InChIKeyCNAWWGALRXLWPQ-UHFFFAOYSA-N
XLogP2.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772262
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
CID 23743129
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide
CID 23998107
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 2952050
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772263
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide
CID 23858759
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23886306
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 43869921
ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 167643351
4-methyl-N-[4-[4-methyl-5-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
CID 11841969
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (CID 23914436) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is CCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1nccs1.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is CNAWWGALRXLWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-3-12(13(21)19-15-17-8-9-23-15)24-16-18-11-7-5-4-6-10(11)14(22)20(16)2/h4-9,12H,3H2,1-2H3,(H,17,19,21).
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 360.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 23914436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).