4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole

C22H25N3OS — CID 103597458

IUPAC4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESCOc1cc(C)c(-c2csc(-c3ccnc(N4CCCCC4)c3)n2)c(C)c1
InChIInChI=1S/C22H25N3OS/c1-15-11-18(26-3)12-16(2)21(15)19-14-27-22(24-19)17-7-8-23-20(13-17)25-9-5-4-6-10-25/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyOPLFGXYDTVNUMR-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.49
Rot. Bonds4

About 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole

4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole (PubChem CID 103597458) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
PubChem CID103597458
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESCOc1cc(C)c(-c2csc(-c3ccnc(N4CCCCC4)c3)n2)c(C)c1
InChIInChI=1S/C22H25N3OS/c1-15-11-18(26-3)12-16(2)21(15)19-14-27-22(24-19)17-7-8-23-20(13-17)25-9-5-4-6-10-25/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyOPLFGXYDTVNUMR-UHFFFAOYSA-N
XLogP5.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491
3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597524
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 134273339
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 18293013
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 126838147
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
N,N-diethyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 103597410
N-[(2-chlorophenyl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036726

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole (CID 103597458) is 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole is COc1cc(C)c(-c2csc(-c3ccnc(N4CCCCC4)c3)n2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The InChIKey is OPLFGXYDTVNUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15-11-18(26-3)12-16(2)21(15)19-14-27-22(24-19)17-7-8-23-20(13-17)25-9-5-4-6-10-25/h7-8,11-14H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole has a molecular weight of 379.53 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 103597458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).