5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole

C26H31N5S — CID 174210995

IUPAC5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole
SMILESCc1cccc(-c2nc(N3CCC4(CNC4)C3)nc3c2CCC(c2scnc2C)C3)c1C
InChIInChI=1S/C26H31N5S/c1-16-5-4-6-20(17(16)2)23-21-8-7-19(24-18(3)28-15-32-24)11-22(21)29-25(30-23)31-10-9-26(14-31)12-27-13-26/h4-6,15,19,27H,7-14H2,1-3H3
InChIKeyZSOMTMCIPIYBFM-UHFFFAOYSA-N
MW445.64 g/mol
LogP4.60
Rot. Bonds3

About 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole

5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole (PubChem CID 174210995) has the molecular formula C26H31N5S and a molecular weight of 445.64 g/mol. Its IUPAC name is 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole
PubChem CID174210995
Molecular FormulaC26H31N5S
Molecular Weight445.64 g/mol
Exact Mass445.23
IUPAC Name5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole
SMILESCc1cccc(-c2nc(N3CCC4(CNC4)C3)nc3c2CCC(c2scnc2C)C3)c1C
InChIInChI=1S/C26H31N5S/c1-16-5-4-6-20(17(16)2)23-21-8-7-19(24-18(3)28-15-32-24)11-22(21)29-25(30-23)31-10-9-26(14-31)12-27-13-26/h4-6,15,19,27H,7-14H2,1-3H3
InChIKeyZSOMTMCIPIYBFM-UHFFFAOYSA-N
XLogP4.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole (CID 174210995) is 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole is Cc1cccc(-c2nc(N3CCC4(CNC4)C3)nc3c2CCC(c2scnc2C)C3)c1C.
What is the InChIKey of 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole?
The InChIKey is ZSOMTMCIPIYBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5S/c1-16-5-4-6-20(17(16)2)23-21-8-7-19(24-18(3)28-15-32-24)11-22(21)29-25(30-23)31-10-9-26(14-31)12-27-13-26/h4-6,15,19,27H,7-14H2,1-3H3.
What are the key properties of 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole?
5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole has a molecular weight of 445.64 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-7-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 174210995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).