(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone

C23H26N4OS — CID 133348732

IUPAC(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(NCCc3csc(-c4ccccc4)n3)nc2)CC1
InChIInChI=1S/C23H26N4OS/c1-17-10-13-27(14-11-17)23(28)19-7-8-21(25-15-19)24-12-9-20-16-29-22(26-20)18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3,(H,24,25)
InChIKeyVGCUFRZIOPNBCR-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.73
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone (PubChem CID 133348732) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone
PubChem CID133348732
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(NCCc3csc(-c4ccccc4)n3)nc2)CC1
InChIInChI=1S/C23H26N4OS/c1-17-10-13-27(14-11-17)23(28)19-7-8-21(25-15-19)24-12-9-20-16-29-22(26-20)18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3,(H,24,25)
InChIKeyVGCUFRZIOPNBCR-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
CID 133348735
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 111515872

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone (CID 133348732) is (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone is CC1CCN(C(=O)c2ccc(NCCc3csc(-c4ccccc4)n3)nc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone?
The InChIKey is VGCUFRZIOPNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-17-10-13-27(14-11-17)23(28)19-7-8-21(25-15-19)24-12-9-20-16-29-22(26-20)18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3,(H,24,25).
What are the key properties of (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone has a molecular weight of 406.56 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133348732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).