1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one

C23H24N6O2S — CID 158190859

IUPAC1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C(=O)N4CCNCC4)nc2CC3)c1
InChIInChI=1S/C23H24N6O2S/c1-14(30)11-15-3-2-4-17(12-15)26-23-25-13-16-5-6-18-20(19(16)28-23)32-21(27-18)22(31)29-9-7-24-8-10-29/h2-4,12-13,24H,5-11H2,1H3,(H,25,26,28)
InChIKeyODSNQXRMYUDCKJ-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.62
Rot. Bonds5

About 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one

1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one (PubChem CID 158190859) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
PubChem CID158190859
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C(=O)N4CCNCC4)nc2CC3)c1
InChIInChI=1S/C23H24N6O2S/c1-14(30)11-15-3-2-4-17(12-15)26-23-25-13-16-5-6-18-20(19(16)28-23)32-21(27-18)22(31)29-9-7-24-8-10-29/h2-4,12-13,24H,5-11H2,1H3,(H,25,26,28)
InChIKeyODSNQXRMYUDCKJ-UHFFFAOYSA-N
XLogP2.62
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[8-(3-aminosulfanylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 89125840
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-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
CID 160610269
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
1-[3-[[4-(piperazin-1-ylmethyl)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-yl]amino]phenyl]propan-2-one
CID 161014612
N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
CID 158478356
3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 59262892
N-(3,5-dimethylphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 59262784
1-[3-[[2-(1-methoxypropan-2-ylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]ethanone
CID 87365733
N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide
CID 67348664
[3-[[4-(piperazine-1-carbonyl)-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-yl]amino]phenyl]sulfanium
CID 143037321
[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262751

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?
The IUPAC name of 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) is 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one is CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C(=O)N4CCNCC4)nc2CC3)c1.
What is the InChIKey of 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?
The InChIKey is ODSNQXRMYUDCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-14(30)11-15-3-2-4-17(12-15)26-23-25-13-16-5-6-18-20(19(16)28-23)32-21(27-18)22(31)29-9-7-24-8-10-29/h2-4,12-13,24H,5-11H2,1H3,(H,25,26,28).
What are the key properties of 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one?
1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one has a molecular weight of 448.55 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 158190859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).