3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

C17H18BrN5O2S — CID 18148665

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)s1
InChIInChI=1S/C17H18BrN5O2S/c1-10(2)7-15-21-22-17(26-15)20-14(24)5-6-23-9-19-13-4-3-11(18)8-12(13)16(23)25/h3-4,8-10H,5-7H2,1-2H3,(H,20,22,24)
InChIKeyJZVQYVALCVFLCD-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.24
Rot. Bonds6

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 18148665) has the molecular formula C17H18BrN5O2S and a molecular weight of 436.34 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID18148665
Molecular FormulaC17H18BrN5O2S
Molecular Weight436.34 g/mol
Exact Mass435.04
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)s1
InChIInChI=1S/C17H18BrN5O2S/c1-10(2)7-15-21-22-17(26-15)20-14(24)5-6-23-9-19-13-4-3-11(18)8-12(13)16(23)25/h3-4,8-10H,5-7H2,1-2H3,(H,20,22,24)
InChIKeyJZVQYVALCVFLCD-UHFFFAOYSA-N
XLogP3.24
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
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CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 24621684
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 24684081
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939
2-(4-bromophenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 18148665) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)Cc1nnc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)s1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is JZVQYVALCVFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2S/c1-10(2)7-15-21-22-17(26-15)20-14(24)5-6-23-9-19-13-4-3-11(18)8-12(13)16(23)25/h3-4,8-10H,5-7H2,1-2H3,(H,20,22,24).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 436.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 18148665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).