2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide

C12H18ClN3OS — CID 54989002

IUPAC2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2nc(CCl)cs2)CC1
InChIInChI=1S/C12H18ClN3OS/c13-6-10-8-18-12(15-10)7-16-3-1-9(2-4-16)5-11(14)17/h8-9H,1-7H2,(H2,14,17)
InChIKeyUGHZZLFTHPIZPO-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.97
Rot. Bonds5

About 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide

2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 54989002) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
PubChem CID54989002
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2nc(CCl)cs2)CC1
InChIInChI=1S/C12H18ClN3OS/c13-6-10-8-18-12(15-10)7-16-3-1-9(2-4-16)5-11(14)17/h8-9H,1-7H2,(H2,14,17)
InChIKeyUGHZZLFTHPIZPO-UHFFFAOYSA-N
XLogP1.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
CID 61435144
[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
CID 43138386
2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
CID 62209002
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120558523
4-(chloromethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62994658
4-(chloromethyl)-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 43585535
2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide
CID 97160299
2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
CID 54949208
5-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377926
2-[1-[[4-(methylamino)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 79245038
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114799150
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-(chloromethyl)-1,3-thiazole
CID 79943426

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide (CID 54989002) is 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cc2nc(CCl)cs2)CC1.
What is the InChIKey of 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is UGHZZLFTHPIZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c13-6-10-8-18-12(15-10)7-16-3-1-9(2-4-16)5-11(14)17/h8-9H,1-7H2,(H2,14,17).
What are the key properties of 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide?
2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 287.82 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54989002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).