2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

C20H21N5OS — CID 11199830

IUPAC2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1CC2
InChIInChI=1S/C20H21N5OS/c1-13-22-17-7-2-14-12-21-20(24-18(14)19(17)27-13)23-15-3-5-16(6-4-15)25-8-10-26-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,21,23,24)
InChIKeyCZKOEIIINXNUJD-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 11199830) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID11199830
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1CC2
InChIInChI=1S/C20H21N5OS/c1-13-22-17-7-2-14-12-21-20(24-18(14)19(17)27-13)23-15-3-5-16(6-4-15)25-8-10-26-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,21,23,24)
InChIKeyCZKOEIIINXNUJD-UHFFFAOYSA-N
XLogP3.59
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Cyc-116
CID 6420138
4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(3-nitro-phenyl)-amine
CID 11163580
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11150562
2-[4-[4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 10251020
N-Ethyl-4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10340715
N,4-Dimethyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10430000
N,N-Dimethyl-N'-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-benzene-1,4-diamine
CID 11163528
N8-Phenyl-4,5-dihydro-thiazolo[4,5-h]quinazoline-2,8-diamine
CID 11266412
(2-Methyl-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11346863
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(4-trifluoromethyl-phenyl)-amine
CID 11428427
Methyl-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(3-nitro-phenyl)-amine
CID 11451037

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 11199830) is 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is Cc1nc2c(s1)-c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1CC2.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is CZKOEIIINXNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-22-17-7-2-14-12-21-20(24-18(14)19(17)27-13)23-15-3-5-16(6-4-15)25-8-10-26-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,21,23,24).
What are the key properties of 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 379.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 11199830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).