N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide

C25H19N5OS — CID 154873076

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cccc(Nc4ncnc5ccccc45)c3)cc2)cs1
InChIInChI=1S/C25H19N5OS/c1-16-28-23(14-32-16)17-9-11-19(12-10-17)30-25(31)18-5-4-6-20(13-18)29-24-21-7-2-3-8-22(21)26-15-27-24/h2-15H,1H3,(H,30,31)(H,26,27,29)
InChIKeySPODDTVUKJZOQY-UHFFFAOYSA-N
MW437.53 g/mol
LogP6.06
Rot. Bonds5

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide (PubChem CID 154873076) has the molecular formula C25H19N5OS and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide
PubChem CID154873076
Molecular FormulaC25H19N5OS
Molecular Weight437.53 g/mol
Exact Mass437.13
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cccc(Nc4ncnc5ccccc45)c3)cc2)cs1
InChIInChI=1S/C25H19N5OS/c1-16-28-23(14-32-16)17-9-11-19(12-10-17)30-25(31)18-5-4-6-20(13-18)29-24-21-7-2-3-8-22(21)26-15-27-24/h2-15H,1H3,(H,30,31)(H,26,27,29)
InChIKeySPODDTVUKJZOQY-UHFFFAOYSA-N
XLogP6.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
3-(quinazolin-4-ylamino)-N-[2-[2-[[3-(quinazolin-4-ylamino)benzoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 139015878
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
3-[[6-(but-2-ynoylamino)quinazolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273488
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide (CID 154873076) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide is Cc1nc(-c2ccc(NC(=O)c3cccc(Nc4ncnc5ccccc45)c3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide?
The InChIKey is SPODDTVUKJZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS/c1-16-28-23(14-32-16)17-9-11-19(12-10-17)30-25(31)18-5-4-6-20(13-18)29-24-21-7-2-3-8-22(21)26-15-27-24/h2-15H,1H3,(H,30,31)(H,26,27,29).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide has a molecular weight of 437.53 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide is sourced from PubChem (CID 154873076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).