4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole

C16H15N3OS2 — CID 86795571

IUPAC4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCOc1ccnc(CSCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N3OS2/c1-20-14-5-7-17-12(8-14)9-21-10-13-11-22-16(19-13)15-4-2-3-6-18-15/h2-8,11H,9-10H2,1H3
InChIKeyNSYZLODHKXISER-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.04
Rot. Bonds6

About 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole

4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 86795571) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID86795571
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCOc1ccnc(CSCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N3OS2/c1-20-14-5-7-17-12(8-14)9-21-10-13-11-22-16(19-13)15-4-2-3-6-18-15/h2-8,11H,9-10H2,1H3
InChIKeyNSYZLODHKXISER-UHFFFAOYSA-N
XLogP4.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 112815538
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30787413
2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
CID 75435208
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313
2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine
CID 86795581
(E)-3-(2,4-dimethoxyphenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770775
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole (CID 86795571) is 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole is COc1ccnc(CSCc2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is NSYZLODHKXISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-20-14-5-7-17-12(8-14)9-21-10-13-11-22-16(19-13)15-4-2-3-6-18-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 329.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 86795571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).