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

C24H24N6O2S — CID 66763564

IUPACN-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n1
InChIInChI=1S/C24H24N6O2S/c1-13(2)19-11-33-24(30-19)23(32)29-16-7-4-6-15(10-16)14(3)28-22-18-9-5-8-17(21(25)31)20(18)26-12-27-22/h4-14H,1-3H3,(H2,25,31)(H,29,32)(H,26,27,28)/t14-/m1/s1
InChIKeyLMGGXHWFXQXVKE-CQSZACIVSA-N
MW460.56 g/mol
LogP4.73
Rot. Bonds7

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

N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 66763564) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID66763564
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC NameN-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n1
InChIInChI=1S/C24H24N6O2S/c1-13(2)19-11-33-24(30-19)23(32)29-16-7-4-6-15(10-16)14(3)28-22-18-9-5-8-17(21(25)31)20(18)26-12-27-22/h4-14H,1-3H3,(H2,25,31)(H,29,32)(H,26,27,28)/t14-/m1/s1
InChIKeyLMGGXHWFXQXVKE-CQSZACIVSA-N
XLogP4.73
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 66763564) is N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n1.
What is the InChIKey of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is LMGGXHWFXQXVKE-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-13(2)19-11-33-24(30-19)23(32)29-16-7-4-6-15(10-16)14(3)28-22-18-9-5-8-17(21(25)31)20(18)26-12-27-22/h4-14H,1-3H3,(H2,25,31)(H,29,32)(H,26,27,28)/t14-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.73, 7 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]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66763564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).