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

C18H22ClN3O2S — CID 120888047

IUPAC2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CCNCC1
InChIInChI=1S/C18H22ClN3O2S/c1-24-12-18(6-8-20-9-7-18)11-21-16(23)15-10-25-17(22-15)13-2-4-14(19)5-3-13/h2-5,10,20H,6-9,11-12H2,1H3,(H,21,23)
InChIKeyVCHQXYRDHSFYIF-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.21
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120888047) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120888047
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CCNCC1
InChIInChI=1S/C18H22ClN3O2S/c1-24-12-18(6-8-20-9-7-18)11-21-16(23)15-10-25-17(22-15)13-2-4-14(19)5-3-13/h2-5,10,20H,6-9,11-12H2,1H3,(H,21,23)
InChIKeyVCHQXYRDHSFYIF-UHFFFAOYSA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
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
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120888366
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120890544
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120889712
5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120888871
5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56808469

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 120888047) is 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is COCC1(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CCNCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VCHQXYRDHSFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-24-12-18(6-8-20-9-7-18)11-21-16(23)15-10-25-17(22-15)13-2-4-14(19)5-3-13/h2-5,10,20H,6-9,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 379.91 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).