N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

C9H13N5S2 — CID 80614574

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cccs1)Cc1nnc(NN)s1
InChIInChI=1S/C9H13N5S2/c1-14(5-7-3-2-4-15-7)6-8-12-13-9(11-10)16-8/h2-4H,5-6,10H2,1H3,(H,11,13)
InChIKeySBRPHFDWQJXIID-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.52
Rot. Bonds5

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 80614574) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID80614574
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cccs1)Cc1nnc(NN)s1
InChIInChI=1S/C9H13N5S2/c1-14(5-7-3-2-4-15-7)6-8-12-13-9(11-10)16-8/h2-4H,5-6,10H2,1H3,(H,11,13)
InChIKeySBRPHFDWQJXIID-UHFFFAOYSA-N
XLogP1.52
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80613669
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606920
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80614579
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106918004
N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80613981
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (CID 80614574) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is CN(Cc1cccs1)Cc1nnc(NN)s1.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is SBRPHFDWQJXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-14(5-7-3-2-4-15-7)6-8-12-13-9(11-10)16-8/h2-4H,5-6,10H2,1H3,(H,11,13).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 80614574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).