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

C19H26N4O2S — CID 119865544

IUPAC2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3csc(CN)n3)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-25-16-4-2-15(3-5-16)12-23-8-6-14(7-9-23)11-21-19(24)17-13-26-18(10-20)22-17/h2-5,13-14H,6-12,20H2,1H3,(H,21,24)
InChIKeyYPTWPMODOVOTEJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.25
Rot. Bonds7

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

2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119865544) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID119865544
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3csc(CN)n3)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-25-16-4-2-15(3-5-16)12-23-8-6-14(7-9-23)11-21-19(24)17-13-26-18(10-20)22-17/h2-5,13-14H,6-12,20H2,1H3,(H,21,24)
InChIKeyYPTWPMODOVOTEJ-UHFFFAOYSA-N
XLogP2.25
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72867403
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 119865544) is 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is COc1ccc(CN2CCC(CNC(=O)c3csc(CN)n3)CC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YPTWPMODOVOTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-25-16-4-2-15(3-5-16)12-23-8-6-14(7-9-23)11-21-19(24)17-13-26-18(10-20)22-17/h2-5,13-14H,6-12,20H2,1H3,(H,21,24).
What are the key properties of 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119865544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).