2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H22N4OS — CID 103441898

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(C)CC2CN)n1
InChIInChI=1S/C13H22N4OS/c1-9-3-4-17(11(5-9)6-14)7-12(18)16-13-15-10(2)8-19-13/h8-9,11H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyBEUDJNBYXXGLNZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 103441898) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID103441898
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(C)CC2CN)n1
InChIInChI=1S/C13H22N4OS/c1-9-3-4-17(11(5-9)6-14)7-12(18)16-13-15-10(2)8-19-13/h8-9,11H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyBEUDJNBYXXGLNZ-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 115963601
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60690531
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 103441573
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 103441761
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 103442124
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915205
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 103441774
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 95750486
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 103441586

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 103441898) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCC(C)CC2CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BEUDJNBYXXGLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9-3-4-17(11(5-9)6-14)7-12(18)16-13-15-10(2)8-19-13/h8-9,11H,3-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 103441898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).