N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide

C22H20N6O2S — CID 66762900

IUPACN-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1
InChIInChI=1S/C22H20N6O2S/c1-12(27-21-17-8-4-7-16(20(23)29)19(17)25-11-26-21)14-5-3-6-15(9-14)28-22(30)18-10-24-13(2)31-18/h3-12H,1-2H3,(H2,23,29)(H,28,30)(H,25,26,27)/t12-/m1/s1
InChIKeyHAKWYGIXPYBWTK-GFCCVEGCSA-N
MW432.51 g/mol
LogP3.92
Rot. Bonds6

About N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 66762900) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID66762900
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC NameN-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1
InChIInChI=1S/C22H20N6O2S/c1-12(27-21-17-8-4-7-16(20(23)29)19(17)25-11-26-21)14-5-3-6-15(9-14)28-22(30)18-10-24-13(2)31-18/h3-12H,1-2H3,(H2,23,29)(H,28,30)(H,25,26,27)/t12-/m1/s1
InChIKeyHAKWYGIXPYBWTK-GFCCVEGCSA-N
XLogP3.92
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 66762900) is N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1.
What is the InChIKey of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HAKWYGIXPYBWTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-12(27-21-17-8-4-7-16(20(23)29)19(17)25-11-26-21)14-5-3-6-15(9-14)28-22(30)18-10-24-13(2)31-18/h3-12H,1-2H3,(H2,23,29)(H,28,30)(H,25,26,27)/t12-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66762900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).