3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole

C16H24N4OS2 — CID 174162500

IUPAC3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole
SMILESCOc1nscc1-c1cnc(C2CCCCN2CC(C)SC)[nH]1
InChIInChI=1S/C16H24N4OS2/c1-11(22-3)9-20-7-5-4-6-14(20)15-17-8-13(18-15)12-10-23-19-16(12)21-2/h8,10-11,14H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyOWJJRWHYMAPOCL-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.82
Rot. Bonds6

About 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole

3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole (PubChem CID 174162500) has the molecular formula C16H24N4OS2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole
PubChem CID174162500
Molecular FormulaC16H24N4OS2
Molecular Weight352.53 g/mol
Exact Mass352.14
IUPAC Name3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole
SMILESCOc1nscc1-c1cnc(C2CCCCN2CC(C)SC)[nH]1
InChIInChI=1S/C16H24N4OS2/c1-11(22-3)9-20-7-5-4-6-14(20)15-17-8-13(18-15)12-10-23-19-16(12)21-2/h8,10-11,14H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyOWJJRWHYMAPOCL-UHFFFAOYSA-N
XLogP3.82
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 174162673
2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine
CID 174165185
4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 174162371
2-amino-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(3-amino-2-methyl-4-oxobutyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutanal
CID 87525715
methyl N-[(2R)-1-[(2R)-2-[5-[6-[2-[(2R)-1-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[3,2-b]thiophen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 171350683
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
methyl N-[(2R,3R)-1-[(2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methoxybutan-2-yl]carbamate
CID 118084059
2-methylpropyl 2-(5-ethynyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 123539346
methyl N-[1-[2-[5-(6-bromothieno[3,2-b]thiophen-3-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 77253301
5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole
CID 130401788
[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-2-yl]carbamic acid
CID 122639988
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole?
The IUPAC name of 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole (CID 174162500) is 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole.
What is the SMILES notation for 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole?
The canonical SMILES for 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole is COc1nscc1-c1cnc(C2CCCCN2CC(C)SC)[nH]1.
What is the InChIKey of 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole?
The InChIKey is OWJJRWHYMAPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS2/c1-11(22-3)9-20-7-5-4-6-14(20)15-17-8-13(18-15)12-10-23-19-16(12)21-2/h8,10-11,14H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole?
3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole has a molecular weight of 352.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole is sourced from PubChem (CID 174162500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).