N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C16H17N5O2S — CID 2219288

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C16H17N5O2S/c1-2-3-8-14-19-20-16(24-14)18-13(22)9-21-10-17-12-7-5-4-6-11(12)15(21)23/h4-7,10H,2-3,8-9H2,1H3,(H,18,20,22)
InChIKeyGVLXRQNPXOJGJC-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.23
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2219288) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2219288
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C16H17N5O2S/c1-2-3-8-14-19-20-16(24-14)18-13(22)9-21-10-17-12-7-5-4-6-11(12)15(21)23/h4-7,10H,2-3,8-9H2,1H3,(H,18,20,22)
InChIKeyGVLXRQNPXOJGJC-UHFFFAOYSA-N
XLogP2.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2219288) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is CCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is GVLXRQNPXOJGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-2-3-8-14-19-20-16(24-14)18-13(22)9-21-10-17-12-7-5-4-6-11(12)15(21)23/h4-7,10H,2-3,8-9H2,1H3,(H,18,20,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2219288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).