2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C10H13N5OS — CID 102922976

IUPAC2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1nnc(-c2cncnc2)s1
InChIInChI=1S/C10H13N5OS/c1-16-3-2-11-6-9-14-15-10(17-9)8-4-12-7-13-5-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyUDSCMLLTTQDYML-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.73
Rot. Bonds6

About 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 102922976) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID102922976
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1nnc(-c2cncnc2)s1
InChIInChI=1S/C10H13N5OS/c1-16-3-2-11-6-9-14-15-10(17-9)8-4-12-7-13-5-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyUDSCMLLTTQDYML-UHFFFAOYSA-N
XLogP0.73
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(5-bromo-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 79996523
N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 79084228
N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 107942017
2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 102922985
2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 112605807
2-methoxy-N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877363
N-[[5-(4-chloropyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80624071
2-methoxy-N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623634
N-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80620284
2-methoxy-N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 83136195
N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106894431
N-[(5-indazol-1-yl-1,3,4-thiadiazol-2-yl)methyl]-2-methoxyethanamine
CID 80624438

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 102922976) is 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is COCCNCc1nnc(-c2cncnc2)s1.
What is the InChIKey of 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is UDSCMLLTTQDYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-16-3-2-11-6-9-14-15-10(17-9)8-4-12-7-13-5-8/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 251.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 102922976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).