2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide

C9H15N5OS — CID 67450642

IUPAC2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESCN1CCN(c2nc(C(=O)NN)cs2)CC1
InChIInChI=1S/C9H15N5OS/c1-13-2-4-14(5-3-13)9-11-7(6-16-9)8(15)12-10/h6H,2-5,10H2,1H3,(H,12,15)
InChIKeyRUINCPXURLENAP-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.50
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide

2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide (PubChem CID 67450642) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
PubChem CID67450642
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESCN1CCN(c2nc(C(=O)NN)cs2)CC1
InChIInChI=1S/C9H15N5OS/c1-13-2-4-14(5-3-13)9-11-7(6-16-9)8(15)12-10/h6H,2-5,10H2,1H3,(H,12,15)
InChIKeyRUINCPXURLENAP-UHFFFAOYSA-N
XLogP-0.50
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide
CID 82514926
2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 146633592
1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64543814
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 113369888
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 112752462
ethyl 3-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486045
2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 126828912
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide (CID 67450642) is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide is CN1CCN(c2nc(C(=O)NN)cs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is RUINCPXURLENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-13-2-4-14(5-3-13)9-11-7(6-16-9)8(15)12-10/h6H,2-5,10H2,1H3,(H,12,15).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide?
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 241.32 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 67450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).