6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine

C19H14N4O2S — CID 46916170

IUPAC6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1
InChIInChI=1S/C19H14N4O2S/c1-3-15-14(19(23-10-22-15)21-9-18-20-5-6-26-18)7-12(1)13-2-4-16-17(8-13)25-11-24-16/h1-8,10H,9,11H2,(H,21,22,23)
InChIKeyKGRWKIHBWPXUHQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.09
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine

6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 46916170) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
PubChem CID46916170
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1
InChIInChI=1S/C19H14N4O2S/c1-3-15-14(19(23-10-22-15)21-9-18-20-5-6-26-18)7-12(1)13-2-4-16-17(8-13)25-11-24-16/h1-8,10H,9,11H2,(H,21,22,23)
InChIKeyKGRWKIHBWPXUHQ-UHFFFAOYSA-N
XLogP4.09
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (CID 46916170) is 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The InChIKey is KGRWKIHBWPXUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-3-15-14(19(23-10-22-15)21-9-18-20-5-6-26-18)7-12(1)13-2-4-16-17(8-13)25-11-24-16/h1-8,10H,9,11H2,(H,21,22,23).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine has a molecular weight of 362.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 46916170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).