1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate

C20H22N6O2S — CID 123526962

IUPAC1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OCc1cscn1)C1CCN(c2cccc(-c3cncnc3)n2)CC1
InChIInChI=1S/C20H22N6O2S/c1-25(20(27)28-11-16-12-29-14-23-16)17-5-7-26(8-6-17)19-4-2-3-18(24-19)15-9-21-13-22-10-15/h2-4,9-10,12-14,17H,5-8,11H2,1H3
InChIKeyPUYVSOKFKMFADE-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.23
Rot. Bonds5

About 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate

1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate (PubChem CID 123526962) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate
PubChem CID123526962
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OCc1cscn1)C1CCN(c2cccc(-c3cncnc3)n2)CC1
InChIInChI=1S/C20H22N6O2S/c1-25(20(27)28-11-16-12-29-14-23-16)17-5-7-26(8-6-17)19-4-2-3-18(24-19)15-9-21-13-22-10-15/h2-4,9-10,12-14,17H,5-8,11H2,1H3
InChIKeyPUYVSOKFKMFADE-UHFFFAOYSA-N
XLogP3.23
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate?
The IUPAC name of 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate (CID 123526962) is 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate?
The canonical SMILES for 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate is CN(C(=O)OCc1cscn1)C1CCN(c2cccc(-c3cncnc3)n2)CC1.
What is the InChIKey of 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate?
The InChIKey is PUYVSOKFKMFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-25(20(27)28-11-16-12-29-14-23-16)17-5-7-26(8-6-17)19-4-2-3-18(24-19)15-9-21-13-22-10-15/h2-4,9-10,12-14,17H,5-8,11H2,1H3.
What are the key properties of 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate?
1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate has a molecular weight of 410.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethyl N-methyl-N-[1-(6-pyrimidin-5-yl-2-pyridinyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 123526962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).