2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C17H18N4O2S2 — CID 3173042

IUPAC2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O2S2/c1-2-3-9-21-15(23)12-6-4-5-7-13(12)19-17(21)25-11-14(22)20-16-18-8-10-24-16/h4-8,10H,2-3,9,11H2,1H3,(H,18,20,22)
InChIKeyJRUYRGXFZFOLCZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.38
Rot. Bonds7

About 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3173042) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3173042
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O2S2/c1-2-3-9-21-15(23)12-6-4-5-7-13(12)19-17(21)25-11-14(22)20-16-18-8-10-24-16/h4-8,10H,2-3,9,11H2,1H3,(H,18,20,22)
InChIKeyJRUYRGXFZFOLCZ-UHFFFAOYSA-N
XLogP3.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
N-2-Thiazolylbenzamide
CID 569547
4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
Benzamide, 4-[(3,3-dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-2-thiazolyl-
CID 16122818
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
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
2-nitro-N-1,3-thiazol-2-ylbenzamide
CID 670500

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 3173042) is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CCCCn1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JRUYRGXFZFOLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-2-3-9-21-15(23)12-6-4-5-7-13(12)19-17(21)25-11-14(22)20-16-18-8-10-24-16/h4-8,10H,2-3,9,11H2,1H3,(H,18,20,22).
What are the key properties of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3173042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).