(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C12H15N3S — CID 81375259

IUPAC(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1csnn1
InChIInChI=1S/C12H15N3S/c1-9-5-3-4-6-12(9)10(2)13-7-11-8-16-15-14-11/h3-6,8,10,13H,7H2,1-2H3/t10-/m0/s1
InChIKeyXNPQJYOLDMODJL-JTQLQIEISA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 81375259) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID81375259
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1csnn1
InChIInChI=1S/C12H15N3S/c1-9-5-3-4-6-12(9)10(2)13-7-11-8-16-15-14-11/h3-6,8,10,13H,7H2,1-2H3/t10-/m0/s1
InChIKeyXNPQJYOLDMODJL-JTQLQIEISA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81401864
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 115591923
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 81375259) is (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is Cc1ccccc1[C@H](C)NCc1csnn1.
What is the InChIKey of (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is XNPQJYOLDMODJL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-5-3-4-6-12(9)10(2)13-7-11-8-16-15-14-11/h3-6,8,10,13H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 81375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).