4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide

C24H22N6OS2 — CID 70864150

IUPAC4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2ncc3c(-c4nccs4)c(C4=NCCS4)ccc3n2)cc1
InChIInChI=1S/C24H22N6OS2/c1-14(2)28-21(31)15-3-5-16(6-4-15)29-24-27-13-18-19(30-24)8-7-17(22-25-9-11-32-22)20(18)23-26-10-12-33-23/h3-8,10,12-14H,9,11H2,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyCENOJYXBZSHNPZ-UHFFFAOYSA-N
MW474.62 g/mol
LogP5.13
Rot. Bonds6

About 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide

4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 70864150) has the molecular formula C24H22N6OS2 and a molecular weight of 474.62 g/mol. Its IUPAC name is 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
PubChem CID70864150
Molecular FormulaC24H22N6OS2
Molecular Weight474.62 g/mol
Exact Mass474.13
IUPAC Name4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2ncc3c(-c4nccs4)c(C4=NCCS4)ccc3n2)cc1
InChIInChI=1S/C24H22N6OS2/c1-14(2)28-21(31)15-3-5-16(6-4-15)29-24-27-13-18-19(30-24)8-7-17(22-25-9-11-32-22)20(18)23-26-10-12-33-23/h3-8,10,12-14H,9,11H2,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyCENOJYXBZSHNPZ-UHFFFAOYSA-N
XLogP5.13
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide (CID 70864150) is 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Nc2ncc3c(-c4nccs4)c(C4=NCCS4)ccc3n2)cc1.
What is the InChIKey of 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is CENOJYXBZSHNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS2/c1-14(2)28-21(31)15-3-5-16(6-4-15)29-24-27-13-18-19(30-24)8-7-17(22-25-9-11-32-22)20(18)23-26-10-12-33-23/h3-8,10,12-14H,9,11H2,1-2H3,(H,28,31)(H,27,29,30).
What are the key properties of 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 474.62 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 70864150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).