N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C25H24N4O3S — CID 135857845

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1
InChIInChI=1S/C25H24N4O3S/c30-23(13-18-16-33-25(26-18)17-7-2-1-3-8-17)29(14-19-9-6-12-32-19)15-22-27-21-11-5-4-10-20(21)24(31)28-22/h1-5,7-8,10-11,16,19H,6,9,12-15H2,(H,27,28,31)/t19-/m0/s1
InChIKeyNXBDMHMQTNAIFU-IBGZPJMESA-N
MW460.56 g/mol
LogP3.80
Rot. Bonds7

About N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 135857845) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID135857845
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1
InChIInChI=1S/C25H24N4O3S/c30-23(13-18-16-33-25(26-18)17-7-2-1-3-8-17)29(14-19-9-6-12-32-19)15-22-27-21-11-5-4-10-20(21)24(31)28-22/h1-5,7-8,10-11,16,19H,6,9,12-15H2,(H,27,28,31)/t19-/m0/s1
InChIKeyNXBDMHMQTNAIFU-IBGZPJMESA-N
XLogP3.80
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 135857845) is N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NXBDMHMQTNAIFU-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-23(13-18-16-33-25(26-18)17-7-2-1-3-8-17)29(14-19-9-6-12-32-19)15-22-27-21-11-5-4-10-20(21)24(31)28-22/h1-5,7-8,10-11,16,19H,6,9,12-15H2,(H,27,28,31)/t19-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 460.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 135857845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).