4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole

C14H14Cl2N2S — CID 62541775

IUPAC4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESClc1ccc(Cl)c(-c2csc(C3CCCNC3)n2)c1
InChIInChI=1S/C14H14Cl2N2S/c15-10-3-4-12(16)11(6-10)13-8-19-14(18-13)9-2-1-5-17-7-9/h3-4,6,8-9,17H,1-2,5,7H2
InChIKeyIUHCNFGXBHVABA-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.58
Rot. Bonds2

About 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole

4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole (PubChem CID 62541775) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
PubChem CID62541775
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESClc1ccc(Cl)c(-c2csc(C3CCCNC3)n2)c1
InChIInChI=1S/C14H14Cl2N2S/c15-10-3-4-12(16)11(6-10)13-8-19-14(18-13)9-2-1-5-17-7-9/h3-4,6,8-9,17H,1-2,5,7H2
InChIKeyIUHCNFGXBHVABA-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 177184061
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
CID 62541597
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 55242521
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole (CID 62541775) is 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole is Clc1ccc(Cl)c(-c2csc(C3CCCNC3)n2)c1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is IUHCNFGXBHVABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c15-10-3-4-12(16)11(6-10)13-8-19-14(18-13)9-2-1-5-17-7-9/h3-4,6,8-9,17H,1-2,5,7H2.
What are the key properties of 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole?
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 313.25 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 62541775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).