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

C21H29N5O2S — CID 163368430

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)s1
InChIInChI=1S/C21H29N5O2S/c1-15(2)17-4-6-18(7-5-17)24-20(28)14-26-10-8-25(9-11-26)13-19-12-22-21(29-19)23-16(3)27/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,28)(H,22,23,27)
InChIKeyWAVVLOXOOREGMY-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.98
Rot. Bonds7

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

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 163368430) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID163368430
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)s1
InChIInChI=1S/C21H29N5O2S/c1-15(2)17-4-6-18(7-5-17)24-20(28)14-26-10-8-25(9-11-26)13-19-12-22-21(29-19)23-16(3)27/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,28)(H,22,23,27)
InChIKeyWAVVLOXOOREGMY-UHFFFAOYSA-N
XLogP2.98
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pha-690509
CID 9902100
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
2-(pyrazin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911223
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162648381
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162662281
2-(4-(4-fluorophenyl)piperazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 861153
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 71600846
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
2-(4-acetamidophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 9923630

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 163368430) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WAVVLOXOOREGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-15(2)17-4-6-18(7-5-17)24-20(28)14-26-10-8-25(9-11-26)13-19-12-22-21(29-19)23-16(3)27/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,28)(H,22,23,27).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 163368430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).