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

C20H27N5O2S — CID 1447479

IUPAC2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
SMILESCc1ccc(-c2csc(N3CCN(CC(=O)NNC(=O)C(C)C)CC3)n2)cc1
InChIInChI=1S/C20H27N5O2S/c1-14(2)19(27)23-22-18(26)12-24-8-10-25(11-9-24)20-21-17(13-28-20)16-6-4-15(3)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyLXZRPBLDSXNNNO-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.04
Rot. Bonds5

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

2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide (PubChem CID 1447479) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
PubChem CID1447479
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
SMILESCc1ccc(-c2csc(N3CCN(CC(=O)NNC(=O)C(C)C)CC3)n2)cc1
InChIInChI=1S/C20H27N5O2S/c1-14(2)19(27)23-22-18(26)12-24-8-10-25(11-9-24)20-21-17(13-28-20)16-6-4-15(3)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyLXZRPBLDSXNNNO-UHFFFAOYSA-N
XLogP2.04
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
CID 7435853
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438331
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78825134
N-(2-ethylphenyl)-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447493
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447486
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24561171
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide?
The IUPAC name of 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide (CID 1447479) is 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide.
What is the SMILES notation for 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide?
The canonical SMILES for 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide is Cc1ccc(-c2csc(N3CCN(CC(=O)NNC(=O)C(C)C)CC3)n2)cc1.
What is the InChIKey of 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide?
The InChIKey is LXZRPBLDSXNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-14(2)19(27)23-22-18(26)12-24-8-10-25(11-9-24)20-21-17(13-28-20)16-6-4-15(3)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide?
2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide has a molecular weight of 401.54 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide is sourced from PubChem (CID 1447479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).