N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide

C17H20ClN3O2S — CID 166294874

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1csc(N2CCCCC2)n1
InChIInChI=1S/C17H20ClN3O2S/c1-11-8-13(15(23-2)9-12(11)18)19-16(22)14-10-24-17(20-14)21-6-4-3-5-7-21/h8-10H,3-7H2,1-2H3,(H,19,22)
InChIKeyWZYBRTSKFDBPFN-UHFFFAOYSA-N
MW365.89 g/mol
LogP4.36
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 166294874) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID166294874
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1csc(N2CCCCC2)n1
InChIInChI=1S/C17H20ClN3O2S/c1-11-8-13(15(23-2)9-12(11)18)19-16(22)14-10-24-17(20-14)21-6-4-3-5-7-21/h8-10H,3-7H2,1-2H3,(H,19,22)
InChIKeyWZYBRTSKFDBPFN-UHFFFAOYSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299122
N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020009
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-oxo-11-pyrrolidin-1-yl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide (CID 166294874) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1csc(N2CCCCC2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WZYBRTSKFDBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11-8-13(15(23-2)9-12(11)18)19-16(22)14-10-24-17(20-14)21-6-4-3-5-7-21/h8-10H,3-7H2,1-2H3,(H,19,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 365.89 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166294874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).