N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine

C10H21N5O2S — CID 80613771

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nnc(NN)s1)C(C)COC
InChIInChI=1S/C10H21N5O2S/c1-8(7-17-3)15(4-5-16-2)6-9-13-14-10(12-11)18-9/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyNBOCRPYYYCWGHT-UHFFFAOYSA-N
MW275.38 g/mol
LogP0.31
Rot. Bonds9

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (PubChem CID 80613771) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
PubChem CID80613771
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nnc(NN)s1)C(C)COC
InChIInChI=1S/C10H21N5O2S/c1-8(7-17-3)15(4-5-16-2)6-9-13-14-10(12-11)18-9/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyNBOCRPYYYCWGHT-UHFFFAOYSA-N
XLogP0.31
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 80613272
2-ethoxy-N-(2-ethoxyethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 82952358
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607006
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
N-(cyclopropylmethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80613367
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 80611577
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 80614069
5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607024
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80614579
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647778

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (CID 80613771) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is COCCN(Cc1nnc(NN)s1)C(C)COC.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is NBOCRPYYYCWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-8(7-17-3)15(4-5-16-2)6-9-13-14-10(12-11)18-9/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 275.38 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 80613771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).