1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine

C13H17N3OS — CID 86816772

IUPAC1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCOCC(C)(NCc1csnn1)c1ccccc1
InChIInChI=1S/C13H17N3OS/c1-13(10-17-2,11-6-4-3-5-7-11)14-8-12-9-18-16-15-12/h3-7,9,14H,8,10H2,1-2H3
InChIKeyACMRMKWNSBXZNJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.19
Rot. Bonds6

About 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine

1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine (PubChem CID 86816772) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
PubChem CID86816772
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCOCC(C)(NCc1csnn1)c1ccccc1
InChIInChI=1S/C13H17N3OS/c1-13(10-17-2,11-6-4-3-5-7-11)14-8-12-9-18-16-15-12/h3-7,9,14H,8,10H2,1-2H3
InChIKeyACMRMKWNSBXZNJ-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine
CID 119033742
(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine
CID 99699520
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
(2R)-N-[(2,5-dimethoxyphenyl)methyl]-1-methoxy-2-phenylpropan-2-amine
CID 97334692
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
1-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylpropan-2-amine
CID 105059500
6-methoxy-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43663789
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
tert-butyl-diphenyl-(thiadiazol-4-ylmethylsulfanyl)silane
CID 23126643

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine (CID 86816772) is 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine is COCC(C)(NCc1csnn1)c1ccccc1.
What is the InChIKey of 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The InChIKey is ACMRMKWNSBXZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(10-17-2,11-6-4-3-5-7-11)14-8-12-9-18-16-15-12/h3-7,9,14H,8,10H2,1-2H3.
What are the key properties of 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 86816772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).