1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide

C20H21N5O2S — CID 138587588

IUPAC1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CCN(C2COC2)CC1
InChIInChI=1S/C20H21N5O2S/c26-19(13-3-5-25(6-4-13)16-10-27-11-16)24-20-22-8-15-2-1-14(7-17(15)23-20)18-9-21-12-28-18/h1-2,7-9,12-13,16H,3-6,10-11H2,(H,22,23,24,26)
InChIKeyCASMRADBPXQGJP-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.80
Rot. Bonds4

About 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide

1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide (PubChem CID 138587588) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
PubChem CID138587588
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CCN(C2COC2)CC1
InChIInChI=1S/C20H21N5O2S/c26-19(13-3-5-25(6-4-13)16-10-27-11-16)24-20-22-8-15-2-1-14(7-17(15)23-20)18-9-21-12-28-18/h1-2,7-9,12-13,16H,3-6,10-11H2,(H,22,23,24,26)
InChIKeyCASMRADBPXQGJP-UHFFFAOYSA-N
XLogP2.80
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide (CID 138587588) is 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide is O=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CCN(C2COC2)CC1.
What is the InChIKey of 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
The InChIKey is CASMRADBPXQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-19(13-3-5-25(6-4-13)16-10-27-11-16)24-20-22-8-15-2-1-14(7-17(15)23-20)18-9-21-12-28-18/h1-2,7-9,12-13,16H,3-6,10-11H2,(H,22,23,24,26).
What are the key properties of 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138587588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).