2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole

C19H22N4O2S2 — CID 148868426

IUPAC2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole
SMILESCCC1CCCCN1c1ncnc2cc(S(=O)(=O)Cc3nccs3)ccc12
InChIInChI=1S/C19H22N4O2S2/c1-2-14-5-3-4-9-23(14)19-16-7-6-15(11-17(16)21-13-22-19)27(24,25)12-18-20-8-10-26-18/h6-8,10-11,13-14H,2-5,9,12H2,1H3
InChIKeyPARIQVKTIREZDM-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.83
Rot. Bonds5

About 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole

2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole (PubChem CID 148868426) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole
PubChem CID148868426
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole
SMILESCCC1CCCCN1c1ncnc2cc(S(=O)(=O)Cc3nccs3)ccc12
InChIInChI=1S/C19H22N4O2S2/c1-2-14-5-3-4-9-23(14)19-16-7-6-15(11-17(16)21-13-22-19)27(24,25)12-18-20-8-10-26-18/h6-8,10-11,13-14H,2-5,9,12H2,1H3
InChIKeyPARIQVKTIREZDM-UHFFFAOYSA-N
XLogP3.83
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
6-(2-ethylpiperidin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19140470
[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633977
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
CID 62585668
2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
CID 8008870
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
[1-(6-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633942
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492227
2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23492446

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole (CID 148868426) is 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole is CCC1CCCCN1c1ncnc2cc(S(=O)(=O)Cc3nccs3)ccc12.
What is the InChIKey of 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is PARIQVKTIREZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-2-14-5-3-4-9-23(14)19-16-7-6-15(11-17(16)21-13-22-19)27(24,25)12-18-20-8-10-26-18/h6-8,10-11,13-14H,2-5,9,12H2,1H3.
What are the key properties of 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole?
2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 402.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 148868426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).