N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

C22H27N5OS — CID 143037319

IUPACN-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1cc(C)cc(Nc2ncc3c(n2)C2=C(CC3)NC(CN3CCOCC3)S2)c1
InChIInChI=1S/C22H27N5OS/c1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)29-19(25-18)13-27-5-7-28-8-6-27/h9-12,19,25H,3-8,13H2,1-2H3,(H,23,24,26)
InChIKeyWDTXLPLYRDRNBB-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.45
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 143037319) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID143037319
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1cc(C)cc(Nc2ncc3c(n2)C2=C(CC3)NC(CN3CCOCC3)S2)c1
InChIInChI=1S/C22H27N5OS/c1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)29-19(25-18)13-27-5-7-28-8-6-27/h9-12,19,25H,3-8,13H2,1-2H3,(H,23,24,26)
InChIKeyWDTXLPLYRDRNBB-UHFFFAOYSA-N
XLogP3.45
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 163480567
N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 59262784
8-(3-sulfanylanilino)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid
CID 163919450
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
4-N-[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine
CID 58217537
1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
CID 59262915
4-(3,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207508
4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 23536689
5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117092137
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine
CID 59615277
9-chloro-N-(3,5-dimethylphenyl)-7-oxido-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-7-ium-2-amine
CID 163796963
6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine
CID 159000817

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 143037319) is N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is Cc1cc(C)cc(Nc2ncc3c(n2)C2=C(CC3)NC(CN3CCOCC3)S2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is WDTXLPLYRDRNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-14-9-15(2)11-17(10-14)24-22-23-12-16-3-4-18-21(20(16)26-22)29-19(25-18)13-27-5-7-28-8-6-27/h9-12,19,25H,3-8,13H2,1-2H3,(H,23,24,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 409.56 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 143037319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).