N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide

C23H28N6O2S — CID 58562914

IUPACN-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide
SMILESCc1ccc2ncnc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1
InChIInChI=1S/C23H28N6O2S/c1-15-2-3-19-18(8-15)22(27-13-26-19)25-10-21(30)28-16-11-29(12-16)17-4-6-23(31,7-5-17)20-9-24-14-32-20/h2-3,8-9,13-14,16-17,31H,4-7,10-12H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyRYEJTTPVFZIHFH-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.44
Rot. Bonds6

About N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide

N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide (PubChem CID 58562914) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide
PubChem CID58562914
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC NameN-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide
SMILESCc1ccc2ncnc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1
InChIInChI=1S/C23H28N6O2S/c1-15-2-3-19-18(8-15)22(27-13-26-19)25-10-21(30)28-16-11-29(12-16)17-4-6-23(31,7-5-17)20-9-24-14-32-20/h2-3,8-9,13-14,16-17,31H,4-7,10-12H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyRYEJTTPVFZIHFH-UHFFFAOYSA-N
XLogP2.44
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide?
The IUPAC name of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide (CID 58562914) is N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide is Cc1ccc2ncnc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1.
What is the InChIKey of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide?
The InChIKey is RYEJTTPVFZIHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-15-2-3-19-18(8-15)22(27-13-26-19)25-10-21(30)28-16-11-29(12-16)17-4-6-23(31,7-5-17)20-9-24-14-32-20/h2-3,8-9,13-14,16-17,31H,4-7,10-12H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide?
N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide has a molecular weight of 452.58 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 58562914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).