4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide

C24H18N6OS — CID 51030271

IUPAC4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cs1
InChIInChI=1S/C24H18N6OS/c25-21(31)24-29-19(14-32-24)22-28-18-11-6-10-17(15-7-2-1-3-8-15)20(18)23(30-22)27-13-16-9-4-5-12-26-16/h1-12,14H,13H2,(H2,25,31)(H,27,28,30)
InChIKeyKIGPYVZCHCMJMC-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.53
Rot. Bonds6

About 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide

4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 51030271) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide
PubChem CID51030271
Molecular FormulaC24H18N6OS
Molecular Weight438.52 g/mol
Exact Mass438.13
IUPAC Name4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cs1
InChIInChI=1S/C24H18N6OS/c25-21(31)24-29-19(14-32-24)22-28-18-11-6-10-17(15-7-2-1-3-8-15)20(18)23(30-22)27-13-16-9-4-5-12-26-16/h1-12,14H,13H2,(H2,25,31)(H,27,28,30)
InChIKeyKIGPYVZCHCMJMC-UHFFFAOYSA-N
XLogP4.53
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide (CID 51030271) is 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide is NC(=O)c1nc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cs1.
What is the InChIKey of 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is KIGPYVZCHCMJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS/c25-21(31)24-29-19(14-32-24)22-28-18-11-6-10-17(15-7-2-1-3-8-15)20(18)23(30-22)27-13-16-9-4-5-12-26-16/h1-12,14H,13H2,(H2,25,31)(H,27,28,30).
What are the key properties of 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide?
4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 51030271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).