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

C12H15N3S — CID 115905021

IUPAC2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1csnn1)c1ccccc1
InChIInChI=1S/C12H15N3S/c1-12(2,10-6-4-3-5-7-10)13-8-11-9-16-15-14-11/h3-7,9,13H,8H2,1-2H3
InChIKeyZFTRJKQSPNMILG-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.56
Rot. Bonds4

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

2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine (PubChem CID 115905021) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
PubChem CID115905021
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1csnn1)c1ccccc1
InChIInChI=1S/C12H15N3S/c1-12(2,10-6-4-3-5-7-10)13-8-11-9-16-15-14-11/h3-7,9,13H,8H2,1-2H3
InChIKeyZFTRJKQSPNMILG-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,2,3-Thiadiazol-4-Yl)phenyl]methanamine
CID 2737288
1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 71015547
4-[[(3R)-3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 139302679
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 43663831
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43663832
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
CID 43663864
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
[(4-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663916

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine (CID 115905021) is 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine is CC(C)(NCc1csnn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The InChIKey is ZFTRJKQSPNMILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-12(2,10-6-4-3-5-7-10)13-8-11-9-16-15-14-11/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine?
2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 115905021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).