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

C13H17N3OS — CID 105144099

IUPACN-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cnsn1)c1cc(C)ccc1OC
InChIInChI=1S/C13H17N3OS/c1-4-14-13(11-8-15-18-16-11)10-7-9(2)5-6-12(10)17-3/h5-8,13-14H,4H2,1-3H3
InChIKeyQPGIJMQFCKSIEW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.55
Rot. Bonds5

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

N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105144099) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105144099
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cnsn1)c1cc(C)ccc1OC
InChIInChI=1S/C13H17N3OS/c1-4-14-13(11-8-15-18-16-11)10-7-9(2)5-6-12(10)17-3/h5-8,13-14H,4H2,1-3H3
InChIKeyQPGIJMQFCKSIEW-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromo-2,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 103524511
N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105143439
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43626292
N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81157380
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864
1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105120137

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105144099) is N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCNC(c1cnsn1)c1cc(C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is QPGIJMQFCKSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-14-13(11-8-15-18-16-11)10-7-9(2)5-6-12(10)17-3/h5-8,13-14H,4H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).