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

C15H17ClN2OS — CID 67357807

IUPAC4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESCOc1ccc(Cl)cc1-c1csc(C2CCCCN2)n1
InChIInChI=1S/C15H17ClN2OS/c1-19-14-6-5-10(16)8-11(14)13-9-20-15(18-13)12-4-2-3-7-17-12/h5-6,8-9,12,17H,2-4,7H2,1H3
InChIKeyYUNSWNFEZXKFEA-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.29
Rot. Bonds3

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

4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole (PubChem CID 67357807) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
PubChem CID67357807
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESCOc1ccc(Cl)cc1-c1csc(C2CCCCN2)n1
InChIInChI=1S/C15H17ClN2OS/c1-19-14-6-5-10(16)8-11(14)13-9-20-15(18-13)12-4-2-3-7-17-12/h5-6,8-9,12,17H,2-4,7H2,1H3
InChIKeyYUNSWNFEZXKFEA-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole (CID 67357807) is 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole is COc1ccc(Cl)cc1-c1csc(C2CCCCN2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole?
The InChIKey is YUNSWNFEZXKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-19-14-6-5-10(16)8-11(14)13-9-20-15(18-13)12-4-2-3-7-17-12/h5-6,8-9,12,17H,2-4,7H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole?
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole has a molecular weight of 308.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 67357807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).