2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine

C22H30N6OS — CID 146644995

IUPAC2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine
SMILESCCC1CC(Nc2nc(Nc3ncc(C)s3)c3ccc(OC)cc3n2)CC(CC)N1
InChIInChI=1S/C22H30N6OS/c1-5-14-9-16(10-15(6-2)24-14)25-21-26-19-11-17(29-4)7-8-18(19)20(27-21)28-22-23-12-13(3)30-22/h7-8,11-12,14-16,24H,5-6,9-10H2,1-4H3,(H2,23,25,26,27,28)
InChIKeyMPIHYOPUTWCMDT-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.87
Rot. Bonds7

About 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine

2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine (PubChem CID 146644995) has the molecular formula C22H30N6OS and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine
PubChem CID146644995
Molecular FormulaC22H30N6OS
Molecular Weight426.59 g/mol
Exact Mass426.22
IUPAC Name2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine
SMILESCCC1CC(Nc2nc(Nc3ncc(C)s3)c3ccc(OC)cc3n2)CC(CC)N1
InChIInChI=1S/C22H30N6OS/c1-5-14-9-16(10-15(6-2)24-14)25-21-26-19-11-17(29-4)7-8-18(19)20(27-21)28-22-23-12-13(3)30-22/h7-8,11-12,14-16,24H,5-6,9-10H2,1-4H3,(H2,23,25,26,27,28)
InChIKeyMPIHYOPUTWCMDT-UHFFFAOYSA-N
XLogP4.87
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine (CID 146644995) is 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine is CCC1CC(Nc2nc(Nc3ncc(C)s3)c3ccc(OC)cc3n2)CC(CC)N1.
What is the InChIKey of 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine?
The InChIKey is MPIHYOPUTWCMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6OS/c1-5-14-9-16(10-15(6-2)24-14)25-21-26-19-11-17(29-4)7-8-18(19)20(27-21)28-22-23-12-13(3)30-22/h7-8,11-12,14-16,24H,5-6,9-10H2,1-4H3,(H2,23,25,26,27,28).
What are the key properties of 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine?
2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine has a molecular weight of 426.59 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-diethylpiperidin-4-yl)-7-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 146644995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).