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

C22H26N6S — CID 59262784

IUPACN-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1cc(C)cc(Nc2ncc3c(n2)-c2sc(CN4CCNCC4)nc2CC3)c1
InChIInChI=1S/C22H26N6S/c1-14-9-15(2)11-17(10-14)25-22-24-12-16-3-4-18-21(20(16)27-22)29-19(26-18)13-28-7-5-23-6-8-28/h9-12,23H,3-8,13H2,1-2H3,(H,24,25,27)
InChIKeyKJHZJQXBXAZKBE-UHFFFAOYSA-N
MW406.56 g/mol
LogP3.46
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 59262784) has the molecular formula C22H26N6S and a molecular weight of 406.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID59262784
Molecular FormulaC22H26N6S
Molecular Weight406.56 g/mol
Exact Mass406.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1cc(C)cc(Nc2ncc3c(n2)-c2sc(CN4CCNCC4)nc2CC3)c1
InChIInChI=1S/C22H26N6S/c1-14-9-15(2)11-17(10-14)25-22-24-12-16-3-4-18-21(20(16)27-22)29-19(26-18)13-28-7-5-23-6-8-28/h9-12,23H,3-8,13H2,1-2H3,(H,24,25,27)
InChIKeyKJHZJQXBXAZKBE-UHFFFAOYSA-N
XLogP3.46
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
CID 59262915
1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
CID 158190859
2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 11428427
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-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 143037319
[12-(3,5-dimethylanilino)-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-4-yl]-piperazin-1-ylmethanone
CID 59262707
1-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one
CID 159366525
piperazin-1-yl-[8-(3-sulfanylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]methanol
CID 143037354
3-[[2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 59262936
N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 11280419
5-methyl-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 62309454
3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
CID 67346740

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 59262784) is N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is Cc1cc(C)cc(Nc2ncc3c(n2)-c2sc(CN4CCNCC4)nc2CC3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is KJHZJQXBXAZKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6S/c1-14-9-15(2)11-17(10-14)25-22-24-12-16-3-4-18-21(20(16)27-22)29-19(26-18)13-28-7-5-23-6-8-28/h9-12,23H,3-8,13H2,1-2H3,(H,24,25,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 406.56 g/mol, XLogP of 3.46, 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-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 59262784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).