3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H15N3OS — CID 65268941

IUPAC3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1-c1nsc(NC(C)C)n1
InChIInChI=1S/C12H15N3OS/c1-8(2)13-12-14-11(15-17-12)9-6-4-5-7-10(9)16-3/h4-8H,1-3H3,(H,13,14,15)
InChIKeyNGJZNWLXFRAGNO-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.03
Rot. Bonds4

About 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268941) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268941
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1-c1nsc(NC(C)C)n1
InChIInChI=1S/C12H15N3OS/c1-8(2)13-12-14-11(15-17-12)9-6-4-5-7-10(9)16-3/h4-8H,1-3H3,(H,13,14,15)
InChIKeyNGJZNWLXFRAGNO-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268591
5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 46953104
(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542709
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414813
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608
3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine
CID 133428494

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268941) is 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is COc1ccccc1-c1nsc(NC(C)C)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is NGJZNWLXFRAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)13-12-14-11(15-17-12)9-6-4-5-7-10(9)16-3/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).