3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide

C16H22FN7S — CID 164879176

IUPAC3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide
SMILESCc1nsc(C)c1N1CCN(c2cc(/C(N)=N/NN)ccc2F)CC1
InChIInChI=1S/C16H22FN7S/c1-10-15(11(2)25-21-10)24-7-5-23(6-8-24)14-9-12(3-4-13(14)17)16(18)20-22-19/h3-4,9,22H,5-8,19H2,1-2H3,(H2,18,20)
InChIKeyRSXORIYCDADQDN-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.31
Rot. Bonds4

About 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide

3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide (PubChem CID 164879176) has the molecular formula C16H22FN7S and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide
PubChem CID164879176
Molecular FormulaC16H22FN7S
Molecular Weight363.47 g/mol
Exact Mass363.16
IUPAC Name3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide
SMILESCc1nsc(C)c1N1CCN(c2cc(/C(N)=N/NN)ccc2F)CC1
InChIInChI=1S/C16H22FN7S/c1-10-15(11(2)25-21-10)24-7-5-23(6-8-24)14-9-12(3-4-13(14)17)16(18)20-22-19/h3-4,9,22H,5-8,19H2,1-2H3,(H2,18,20)
InChIKeyRSXORIYCDADQDN-UHFFFAOYSA-N
XLogP1.31
TPSA95.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluorobenzoic acid
CID 164879214
4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole
CID 164879153
4-chloro-3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]benzoic acid
CID 164879152
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
3-(2,5-dihydropyrrol-1-yl)-4-fluorobenzoic acid
CID 64680605
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
4-fluoro-3-(4-phenylpiperazin-1-yl)benzoic acid
CID 82537634
(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506426
4-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109450586
2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide
CID 170733892
ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
CID 169270080

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide?
The IUPAC name of 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide (CID 164879176) is 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide?
The canonical SMILES for 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide is Cc1nsc(C)c1N1CCN(c2cc(/C(N)=N/NN)ccc2F)CC1.
What is the InChIKey of 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide?
The InChIKey is RSXORIYCDADQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN7S/c1-10-15(11(2)25-21-10)24-7-5-23(6-8-24)14-9-12(3-4-13(14)17)16(18)20-22-19/h3-4,9,22H,5-8,19H2,1-2H3,(H2,18,20).
What are the key properties of 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide?
3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide has a molecular weight of 363.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]-4-fluoro-N'-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 164879176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).