4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole

C17H23N3S — CID 142020670

IUPAC4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole
SMILESCCc1nc(Cc2cccnc2)sc1C1CCN(C)CC1
InChIInChI=1S/C17H23N3S/c1-3-15-17(14-6-9-20(2)10-7-14)21-16(19-15)11-13-5-4-8-18-12-13/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3
InChIKeyMHDPROPWAUBCJQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.50
Rot. Bonds4

About 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole

4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole (PubChem CID 142020670) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole
PubChem CID142020670
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole
SMILESCCc1nc(Cc2cccnc2)sc1C1CCN(C)CC1
InChIInChI=1S/C17H23N3S/c1-3-15-17(14-6-9-20(2)10-7-14)21-16(19-15)11-13-5-4-8-18-12-13/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3
InChIKeyMHDPROPWAUBCJQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367162
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976309
(2R)-2-[[(1R,3S,4S)-3-[[4-(2-benzyl-4-ethyl-1,3-thiazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 59880131
(2R)-2-[[(1R,3S,4S)-3-[[4-(2-benzyl-4-ethyl-1,3-thiazol-5-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 59076713
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
CID 134451931
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
3-ethylpyridine
CID 10823
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole (CID 142020670) is 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole is CCc1nc(Cc2cccnc2)sc1C1CCN(C)CC1.
What is the InChIKey of 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole?
The InChIKey is MHDPROPWAUBCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-15-17(14-6-9-20(2)10-7-14)21-16(19-15)11-13-5-4-8-18-12-13/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3.
What are the key properties of 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole?
4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 142020670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).