N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H19ClN4OS — CID 120757352

IUPACN-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCNCC2c2ccccc2Cl)cs1
InChIInChI=1S/C16H19ClN4OS/c1-11(22)19-16-20-12(10-23-16)9-21-7-6-18-8-15(21)13-4-2-3-5-14(13)17/h2-5,10,15,18H,6-9H2,1H3,(H,19,20,22)
InChIKeyZQRFEXLRNLHDFD-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.90
Rot. Bonds4

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

N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 120757352) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID120757352
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC NameN-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCNCC2c2ccccc2Cl)cs1
InChIInChI=1S/C16H19ClN4OS/c1-11(22)19-16-20-12(10-23-16)9-21-7-6-18-8-15(21)13-4-2-3-5-14(13)17/h2-5,10,15,18H,6-9H2,1H3,(H,19,20,22)
InChIKeyZQRFEXLRNLHDFD-UHFFFAOYSA-N
XLogP2.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
2-[5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120757428
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 120757352) is N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCNCC2c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZQRFEXLRNLHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-11(22)19-16-20-12(10-23-16)9-21-7-6-18-8-15(21)13-4-2-3-5-14(13)17/h2-5,10,15,18H,6-9H2,1H3,(H,19,20,22).
What are the key properties of N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 350.88 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 120757352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).