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

C18H21N5O2S2 — CID 648743

IUPAC2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O
InChIInChI=1S/C18H21N5O2S2/c1-3-5-10-23-16(25)12-8-6-7-9-13(12)19-18(23)26-11-14(24)20-17-22-21-15(4-2)27-17/h6-9H,3-5,10-11H2,1-2H3,(H,20,22,24)
InChIKeyQDDCAUKQAASSAS-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.34
Rot. Bonds8

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

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 648743) has the molecular formula C18H21N5O2S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID648743
Molecular FormulaC18H21N5O2S2
Molecular Weight403.53 g/mol
Exact Mass403.11
IUPAC Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O
InChIInChI=1S/C18H21N5O2S2/c1-3-5-10-23-16(25)12-8-6-7-9-13(12)19-18(23)26-11-14(24)20-17-22-21-15(4-2)27-17/h6-9H,3-5,10-11H2,1-2H3,(H,20,22,24)
InChIKeyQDDCAUKQAASSAS-UHFFFAOYSA-N
XLogP3.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 648743) is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QDDCAUKQAASSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S2/c1-3-5-10-23-16(25)12-8-6-7-9-13(12)19-18(23)26-11-14(24)20-17-22-21-15(4-2)27-17/h6-9H,3-5,10-11H2,1-2H3,(H,20,22,24).
What are the key properties of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 648743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).