2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H20N4OS2 — CID 1435022

IUPAC2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1
InChIInChI=1S/C19H20N4OS2/c1-2-16-20-13-8-4-3-7-12(13)18(22-16)25-11-17(24)23-19-21-14-9-5-6-10-15(14)26-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,23,24)
InChIKeyGZIFDVNAKHXPJD-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1435022) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID1435022
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1
InChIInChI=1S/C19H20N4OS2/c1-2-16-20-13-8-4-3-7-12(13)18(22-16)25-11-17(24)23-19-21-14-9-5-6-10-15(14)26-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,23,24)
InChIKeyGZIFDVNAKHXPJD-UHFFFAOYSA-N
XLogP4.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 1435022) is 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1.
What is the InChIKey of 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GZIFDVNAKHXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-2-16-20-13-8-4-3-7-12(13)18(22-16)25-11-17(24)23-19-21-14-9-5-6-10-15(14)26-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,23,24).
What are the key properties of 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 384.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1435022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).