6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C22H27N5OS — CID 130446865

IUPAC6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCc1nc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cs1
InChIInChI=1S/C22H27N5OS/c1-15-25-21(13-29-15)16-2-7-20-19(12-16)22(24-14-23-20)26-17-3-5-18(6-4-17)27-8-10-28-11-9-27/h2,7,12-14,17-18H,3-6,8-11H2,1H3,(H,23,24,26)
InChIKeyAXGILBWOPQOFQT-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.12
Rot. Bonds4

About 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446865) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446865
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCc1nc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cs1
InChIInChI=1S/C22H27N5OS/c1-15-25-21(13-29-15)16-2-7-20-19(12-16)22(24-14-23-20)26-17-3-5-18(6-4-17)27-8-10-28-11-9-27/h2,7,12-14,17-18H,3-6,8-11H2,1H3,(H,23,24,26)
InChIKeyAXGILBWOPQOFQT-UHFFFAOYSA-N
XLogP4.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446865) is 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Cc1nc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cs1.
What is the InChIKey of 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is AXGILBWOPQOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-15-25-21(13-29-15)16-2-7-20-19(12-16)22(24-14-23-20)26-17-3-5-18(6-4-17)27-8-10-28-11-9-27/h2,7,12-14,17-18H,3-6,8-11H2,1H3,(H,23,24,26).
What are the key properties of 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 409.56 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-thiazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).