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

C16H15Cl2N3OS — CID 133390666

IUPAC3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCCC(COc2ccccc2Cl)C1
InChIInChI=1S/C16H15Cl2N3OS/c17-13-5-1-2-6-14(13)22-10-11-4-3-7-21(9-11)16-12(8-19)15(18)20-23-16/h1-2,5-6,11H,3-4,7,9-10H2
InChIKeySISSABNTMSQJJI-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.62
Rot. Bonds4

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

3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 133390666) has the molecular formula C16H15Cl2N3OS and a molecular weight of 368.29 g/mol. Its IUPAC name is 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID133390666
Molecular FormulaC16H15Cl2N3OS
Molecular Weight368.29 g/mol
Exact Mass367.03
IUPAC Name3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCCC(COc2ccccc2Cl)C1
InChIInChI=1S/C16H15Cl2N3OS/c17-13-5-1-2-6-14(13)22-10-11-4-3-7-21(9-11)16-12(8-19)15(18)20-23-16/h1-2,5-6,11H,3-4,7,9-10H2
InChIKeySISSABNTMSQJJI-UHFFFAOYSA-N
XLogP4.62
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133349632
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
CID 133390580
3-chloro-5-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133363067
[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 124569722
N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 133270039
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103382102
(3S)-3-[(2-chlorophenoxy)methyl]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 99790678
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 60677826
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile (CID 133390666) is 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1N1CCCC(COc2ccccc2Cl)C1.
What is the InChIKey of 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is SISSABNTMSQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3OS/c17-13-5-1-2-6-14(13)22-10-11-4-3-7-21(9-11)16-12(8-19)15(18)20-23-16/h1-2,5-6,11H,3-4,7,9-10H2.
What are the key properties of 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 368.29 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133390666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).