2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide

C19H26N5O2S+ — CID 7435853

IUPAC2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
SMILESCC(C)C(=O)NNC(=O)C[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H25N5O2S/c1-14(2)18(26)22-21-17(25)12-23-8-10-24(11-9-23)19-20-16(13-27-19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,21,25)(H,22,26)/p+1
InChIKeyMTWSNAUNYRGYIB-UHFFFAOYSA-O
MW388.52 g/mol
LogP0.32
Rot. Bonds5

About 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide

2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide (PubChem CID 7435853) has the molecular formula C19H26N5O2S+ and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
PubChem CID7435853
Molecular FormulaC19H26N5O2S+
Molecular Weight388.52 g/mol
Exact Mass388.18
IUPAC Name2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
SMILESCC(C)C(=O)NNC(=O)C[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H25N5O2S/c1-14(2)18(26)22-21-17(25)12-23-8-10-24(11-9-23)19-20-16(13-27-19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,21,25)(H,22,26)/p+1
InChIKeyMTWSNAUNYRGYIB-UHFFFAOYSA-O
XLogP0.32
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
CID 1447479
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-(4-bromophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide
CID 6986150
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
CID 57199831
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide?
The IUPAC name of 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide (CID 7435853) is 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide.
What is the SMILES notation for 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide?
The canonical SMILES for 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide is CC(C)C(=O)NNC(=O)C[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide?
The InChIKey is MTWSNAUNYRGYIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O2S/c1-14(2)18(26)22-21-17(25)12-23-8-10-24(11-9-23)19-20-16(13-27-19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide?
2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide has a molecular weight of 388.52 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide is sourced from PubChem (CID 7435853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).