2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole

C22H27N5O3S2 — CID 118101329

IUPAC2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole
SMILESCN1CCC(COc2cc(OC3CCOCC3)c3c(Sc4nncs4)ncnc3c2)CC1
InChIInChI=1S/C22H27N5O3S2/c1-27-6-2-15(3-7-27)12-29-17-10-18-20(19(11-17)30-16-4-8-28-9-5-16)21(24-13-23-18)32-22-26-25-14-31-22/h10-11,13-16H,2-9,12H2,1H3
InChIKeyGJQKXUTZRVHVGF-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.91
Rot. Bonds7

About 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole

2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole (PubChem CID 118101329) has the molecular formula C22H27N5O3S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole
PubChem CID118101329
Molecular FormulaC22H27N5O3S2
Molecular Weight473.62 g/mol
Exact Mass473.16
IUPAC Name2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole
SMILESCN1CCC(COc2cc(OC3CCOCC3)c3c(Sc4nncs4)ncnc3c2)CC1
InChIInChI=1S/C22H27N5O3S2/c1-27-6-2-15(3-7-27)12-29-17-10-18-20(19(11-17)30-16-4-8-28-9-5-16)21(24-13-23-18)32-22-26-25-14-31-22/h10-11,13-16H,2-9,12H2,1H3
InChIKeyGJQKXUTZRVHVGF-UHFFFAOYSA-N
XLogP3.91
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole 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

4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 118101350
N-[7-(3-morpholin-4-ylpropoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine
CID 118101348
4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
CID 86601567
4-chloro-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22140750
N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine
CID 144849149
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
tert-butyl 4-[[4-(3-chloroanilino)-5-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 68885631
N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxolan-3-yloxy)quinazolin-4-amine
CID 10186116
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
CID 86594820
(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol
CID 118101351
7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one
CID 136862735
5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
CID 136931829

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole (CID 118101329) is 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole is CN1CCC(COc2cc(OC3CCOCC3)c3c(Sc4nncs4)ncnc3c2)CC1.
What is the InChIKey of 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole?
The InChIKey is GJQKXUTZRVHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S2/c1-27-6-2-15(3-7-27)12-29-17-10-18-20(19(11-17)30-16-4-8-28-9-5-16)21(24-13-23-18)32-22-26-25-14-31-22/h10-11,13-16H,2-9,12H2,1H3.
What are the key properties of 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole?
2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole has a molecular weight of 473.62 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 118101329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).