N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C19H25N3O2S — CID 120892014

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2csc(-c3ccc(C)cc3)n2)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-3-5-15(6-4-14)18-22-16(11-25-18)17(23)21-12-19(13-24-2)7-9-20-10-8-19/h3-6,11,20H,7-10,12-13H2,1-2H3,(H,21,23)
InChIKeyYKGKXLCYKWXGNS-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.86
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 120892014) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID120892014
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2csc(-c3ccc(C)cc3)n2)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-3-5-15(6-4-14)18-22-16(11-25-18)17(23)21-12-19(13-24-2)7-9-20-10-8-19/h3-6,11,20H,7-10,12-13H2,1-2H3,(H,21,23)
InChIKeyYKGKXLCYKWXGNS-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120888366
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120889712
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55666102
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 120891409

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 120892014) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is COCC1(CNC(=O)c2csc(-c3ccc(C)cc3)n2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YKGKXLCYKWXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-3-5-15(6-4-14)18-22-16(11-25-18)17(23)21-12-19(13-24-2)7-9-20-10-8-19/h3-6,11,20H,7-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120892014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).