2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole

C12H19ClN2S — CID 79764716

IUPAC2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCCC1(C)CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2S/c1-3-12(2)4-6-15(7-5-12)9-10-8-14-11(13)16-10/h8H,3-7,9H2,1-2H3
InChIKeyVVEKUSZSLUGMGT-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.81
Rot. Bonds3

About 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole

2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 79764716) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID79764716
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCCC1(C)CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2S/c1-3-12(2)4-6-15(7-5-12)9-10-8-14-11(13)16-10/h8H,3-7,9H2,1-2H3
InChIKeyVVEKUSZSLUGMGT-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 79764716) is 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole is CCC1(C)CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is VVEKUSZSLUGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-3-12(2)4-6-15(7-5-12)9-10-8-14-11(13)16-10/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 258.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 79764716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).