N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide

C18H24N4OS — CID 119918242

IUPACN-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESCNC1CCCN(Cc2csc(CNC(=O)c3ccccc3)n2)C1
InChIInChI=1S/C18H24N4OS/c1-19-15-8-5-9-22(11-15)12-16-13-24-17(21-16)10-20-18(23)14-6-3-2-4-7-14/h2-4,6-7,13,15,19H,5,8-12H2,1H3,(H,20,23)
InChIKeyWTPHZWZJSJSLSP-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.26
Rot. Bonds6

About N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide

N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 119918242) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID119918242
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESCNC1CCCN(Cc2csc(CNC(=O)c3ccccc3)n2)C1
InChIInChI=1S/C18H24N4OS/c1-19-15-8-5-9-22(11-15)12-16-13-24-17(21-16)10-20-18(23)14-6-3-2-4-7-14/h2-4,6-7,13,15,19H,5,8-12H2,1H3,(H,20,23)
InChIKeyWTPHZWZJSJSLSP-UHFFFAOYSA-N
XLogP2.26
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
CID 110368636
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 45209965
N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 126796449
methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
CID 71849580
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 86818587

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide (CID 119918242) is N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide is CNC1CCCN(Cc2csc(CNC(=O)c3ccccc3)n2)C1.
What is the InChIKey of N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is WTPHZWZJSJSLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-19-15-8-5-9-22(11-15)12-16-13-24-17(21-16)10-20-18(23)14-6-3-2-4-7-14/h2-4,6-7,13,15,19H,5,8-12H2,1H3,(H,20,23).
What are the key properties of N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 344.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 119918242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).