4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride

C14H18Cl2N2S — CID 50988268

IUPAC4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2csc(C3CCNCC3)n2)cc1
InChIInChI=1S/C14H16N2S.2ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;;/h1-5,10,12,15H,6-9H2;2*1H
InChIKeyASBVVECHUDKEPQ-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.12
Rot. Bonds2

About 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride

4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride (PubChem CID 50988268) has the molecular formula C14H18Cl2N2S and a molecular weight of 317.28 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
PubChem CID50988268
Molecular FormulaC14H18Cl2N2S
Molecular Weight317.28 g/mol
Exact Mass316.06
IUPAC Name4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2csc(C3CCNCC3)n2)cc1
InChIInChI=1S/C14H16N2S.2ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;;/h1-5,10,12,15H,6-9H2;2*1H
InChIKeyASBVVECHUDKEPQ-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
1-(4-Phenyl-1,3-thiazol-2-yl)piperidine
CID 879105
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-Chloro-4-phenylthiazole
CID 2761359
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-Phenyl-2-thiazoleethanamine
CID 1497794
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride (CID 50988268) is 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride is Cl.Cl.c1ccc(-c2csc(C3CCNCC3)n2)cc1.
What is the InChIKey of 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride?
The InChIKey is ASBVVECHUDKEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S.2ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;;/h1-5,10,12,15H,6-9H2;2*1H.
What are the key properties of 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride?
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride has a molecular weight of 317.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 50988268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).