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

C12H19N3OS — CID 61284018

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1nc(CNC(=O)CC2CCNCC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-15-11(8-17-9)7-14-12(16)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,16)
InChIKeyGAQYMHPGEFVPDC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.46
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 61284018) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
PubChem CID61284018
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1nc(CNC(=O)CC2CCNCC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-15-11(8-17-9)7-14-12(16)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,16)
InChIKeyGAQYMHPGEFVPDC-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62211468
N-[(2-methylpyrimidin-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910978
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-piperidin-4-ylacetamide
CID 92632152
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-cyclopropyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97390333
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
2-cyclopropyl-N-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 130736068
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide (CID 61284018) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide is Cc1nc(CNC(=O)CC2CCNCC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is GAQYMHPGEFVPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-15-11(8-17-9)7-14-12(16)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 61284018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).