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

C24H31N5OS — CID 130446903

IUPACN-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine
SMILESCC(C)c1nc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cs1
InChIInChI=1S/C24H31N5OS/c1-16(2)24-28-22(14-31-24)17-3-8-21-20(13-17)23(26-15-25-21)27-18-4-6-19(7-5-18)29-9-11-30-12-10-29/h3,8,13-16,18-19H,4-7,9-12H2,1-2H3,(H,25,26,27)
InChIKeyUIQZCSQXMWPLJC-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.93
Rot. Bonds5

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

N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine (PubChem CID 130446903) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine
PubChem CID130446903
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC NameN-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine
SMILESCC(C)c1nc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cs1
InChIInChI=1S/C24H31N5OS/c1-16(2)24-28-22(14-31-24)17-3-8-21-20(13-17)23(26-15-25-21)27-18-4-6-19(7-5-18)29-9-11-30-12-10-29/h3,8,13-16,18-19H,4-7,9-12H2,1-2H3,(H,25,26,27)
InChIKeyUIQZCSQXMWPLJC-UHFFFAOYSA-N
XLogP4.93
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine (CID 130446903) is N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine is CC(C)c1nc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cs1.
What is the InChIKey of N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine?
The InChIKey is UIQZCSQXMWPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-16(2)24-28-22(14-31-24)17-3-8-21-20(13-17)23(26-15-25-21)27-18-4-6-19(7-5-18)29-9-11-30-12-10-29/h3,8,13-16,18-19H,4-7,9-12H2,1-2H3,(H,25,26,27).
What are the key properties of N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine?
N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine has a molecular weight of 437.61 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylcyclohexyl)-6-(2-propan-2-yl-1,3-thiazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 130446903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).