N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide

C19H24ClN5O2S — CID 170668053

IUPACN-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(c3cc(Cl)ccc3NC(C)=O)CC2C)s1
InChIInChI=1S/C19H24ClN5O2S/c1-12-10-25(18-8-15(20)4-5-17(18)22-13(2)26)7-6-24(12)11-16-9-21-19(28-16)23-14(3)27/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyXOAAWNVOTWQCRA-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.42
Rot. Bonds5

About N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide

N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide (PubChem CID 170668053) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide
PubChem CID170668053
Molecular FormulaC19H24ClN5O2S
Molecular Weight421.95 g/mol
Exact Mass421.13
IUPAC NameN-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(c3cc(Cl)ccc3NC(C)=O)CC2C)s1
InChIInChI=1S/C19H24ClN5O2S/c1-12-10-25(18-8-15(20)4-5-17(18)22-13(2)26)7-6-24(12)11-16-9-21-19(28-16)23-14(3)27/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyXOAAWNVOTWQCRA-UHFFFAOYSA-N
XLogP3.42
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
CID 170668063
N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 165082552
methyl 4-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]benzoate
CID 120899411
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-2-tert-butyl-3-methylpiperazine-1-carboxylic acid
CID 175454334
N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 146664779
N-[5-[[(2S,5R)-4-acetyl-2-methyl-5-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629028
N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 163814299
7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799662
N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129251662
N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 174192801
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide?
The IUPAC name of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide (CID 170668053) is N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide.
What is the SMILES notation for N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide?
The canonical SMILES for N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide is CC(=O)Nc1ncc(CN2CCN(c3cc(Cl)ccc3NC(C)=O)CC2C)s1.
What is the InChIKey of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide?
The InChIKey is XOAAWNVOTWQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c1-12-10-25(18-8-15(20)4-5-17(18)22-13(2)26)7-6-24(12)11-16-9-21-19(28-16)23-14(3)27/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide?
N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide has a molecular weight of 421.95 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide is sourced from PubChem (CID 170668053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).