N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide

C21H29N5O2S — CID 170668063

IUPACN-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(c3cc(C(C)C)ccc3NC(C)=O)CC2)s1
InChIInChI=1S/C21H29N5O2S/c1-14(2)17-5-6-19(23-15(3)27)20(11-17)26-9-7-25(8-10-26)13-18-12-22-21(29-18)24-16(4)28/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,27)(H,22,24,28)
InChIKeyPHMHUXFTYPGCCY-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.51
Rot. Bonds6

About N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide

N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide (PubChem CID 170668063) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
PubChem CID170668063
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(c3cc(C(C)C)ccc3NC(C)=O)CC2)s1
InChIInChI=1S/C21H29N5O2S/c1-14(2)17-5-6-19(23-15(3)27)20(11-17)26-9-7-25(8-10-26)13-18-12-22-21(29-18)24-16(4)28/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,27)(H,22,24,28)
InChIKeyPHMHUXFTYPGCCY-UHFFFAOYSA-N
XLogP3.51
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.51
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]-3-methylpiperazin-1-yl]-4-chlorophenyl]acetamide
CID 170668053
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129251519
N-[5-[[3-[(5-methylpyridazin-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135529
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1H-benzimidazol-2-yl)acetamide
CID 163368413
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]urea
CID 87230770
N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628936
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491347
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide (CID 170668063) is N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide is CC(=O)Nc1ncc(CN2CCN(c3cc(C(C)C)ccc3NC(C)=O)CC2)s1.
What is the InChIKey of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide?
The InChIKey is PHMHUXFTYPGCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-14(2)17-5-6-19(23-15(3)27)20(11-17)26-9-7-25(8-10-26)13-18-12-22-21(29-18)24-16(4)28/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,27)(H,22,24,28).
What are the key properties of N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide?
N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.51, 6 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]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 170668063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).