3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile

C15H15ClN4OS — CID 133349632

IUPAC3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCC(COc2ccccn2)CC1
InChIInChI=1S/C15H15ClN4OS/c16-14-12(9-17)15(22-19-14)20-7-4-11(5-8-20)10-21-13-3-1-2-6-18-13/h1-3,6,11H,4-5,7-8,10H2
InChIKeyDFHAGIAGGVUTRQ-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile

3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 133349632) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID133349632
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCC(COc2ccccn2)CC1
InChIInChI=1S/C15H15ClN4OS/c16-14-12(9-17)15(22-19-14)20-7-4-11(5-8-20)10-21-13-3-1-2-6-18-13/h1-3,6,11H,4-5,7-8,10H2
InChIKeyDFHAGIAGGVUTRQ-UHFFFAOYSA-N
XLogP3.36
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133390666
3-chloro-5-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133363067
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
CID 133349539
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]quinoline
CID 133349552
4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 75424571
N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 167788136
6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 126874369
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile (CID 133349632) is 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1N1CCC(COc2ccccn2)CC1.
What is the InChIKey of 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is DFHAGIAGGVUTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c16-14-12(9-17)15(22-19-14)20-7-4-11(5-8-20)10-21-13-3-1-2-6-18-13/h1-3,6,11H,4-5,7-8,10H2.
What are the key properties of 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 334.83 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133349632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).