N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C15H20N4O2S2 — CID 55432675

IUPACN'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)Cc2sccc2C)n1
InChIInChI=1S/C15H20N4O2S2/c1-10-4-5-22-12(10)7-19(3)8-14(21)18-17-13(20)6-15-16-11(2)9-23-15/h4-5,9H,6-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOTMYZTJGSMNSGL-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.64
Rot. Bonds6

About N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 55432675) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID55432675
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)Cc2sccc2C)n1
InChIInChI=1S/C15H20N4O2S2/c1-10-4-5-22-12(10)7-19(3)8-14(21)18-17-13(20)6-15-16-11(2)9-23-15/h4-5,9H,6-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOTMYZTJGSMNSGL-UHFFFAOYSA-N
XLogP1.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.64
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

N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24682260
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
CID 78903075
N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507331
N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507621
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432428
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
N-[bis(4-methoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17492398
N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 43056222
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433749

Frequently Asked Questions

What is the IUPAC name of N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 55432675) is N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CN(C)Cc2sccc2C)n1.
What is the InChIKey of N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is OTMYZTJGSMNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-10-4-5-22-12(10)7-19(3)8-14(21)18-17-13(20)6-15-16-11(2)9-23-15/h4-5,9H,6-8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 352.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 55432675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).