2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide

C12H20N4O2S — CID 80734339

IUPAC2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
SMILESCc1sc(C(=O)NN)cc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C12H20N4O2S/c1-7(2)16(6-11(13)17)5-9-4-10(12(18)15-14)19-8(9)3/h4,7H,5-6,14H2,1-3H3,(H2,13,17)(H,15,18)
InChIKeyFEBCZJNOMPMFCC-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.36
Rot. Bonds6

About 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide

2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 80734339) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
PubChem CID80734339
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
SMILESCc1sc(C(=O)NN)cc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C12H20N4O2S/c1-7(2)16(6-11(13)17)5-9-4-10(12(18)15-14)19-8(9)3/h4,7H,5-6,14H2,1-3H3,(H2,13,17)(H,15,18)
InChIKeyFEBCZJNOMPMFCC-UHFFFAOYSA-N
XLogP0.36
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide (CID 80734339) is 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide is Cc1sc(C(=O)NN)cc1CN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is FEBCZJNOMPMFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7(2)16(6-11(13)17)5-9-4-10(12(18)15-14)19-8(9)3/h4,7H,5-6,14H2,1-3H3,(H2,13,17)(H,15,18).
What are the key properties of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide?
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 284.39 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 80734339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).