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

C19H25N5O2S — CID 163368424

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-4-3-5-16(10-14)22-18(26)13-24-8-6-23(7-9-24)12-17-11-20-19(27-17)21-15(2)25/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyZZRZSPPJAZFEJG-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.17
Rot. Bonds6

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

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 163368424) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID163368424
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-4-3-5-16(10-14)22-18(26)13-24-8-6-23(7-9-24)12-17-11-20-19(27-17)21-15(2)25/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyZZRZSPPJAZFEJG-UHFFFAOYSA-N
XLogP2.17
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pha-690509
CID 9902100
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CID 135135317
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
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N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-(pyridin-3-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1963831
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 163368424) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ZZRZSPPJAZFEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-4-3-5-16(10-14)22-18(26)13-24-8-6-23(7-9-24)12-17-11-20-19(27-17)21-15(2)25/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,26)(H,20,21,25).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.17, 6 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 163368424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).