1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine

C12H13F2N3S — CID 54864212

IUPAC1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1csnn1
InChIInChI=1S/C12H13F2N3S/c1-8(15-6-9-7-18-17-16-9)5-10-11(13)3-2-4-12(10)14/h2-4,7-8,15H,5-6H2,1H3
InChIKeySTNTUHFAWQUAMW-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.54
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine

1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine (PubChem CID 54864212) has the molecular formula C12H13F2N3S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
PubChem CID54864212
Molecular FormulaC12H13F2N3S
Molecular Weight269.32 g/mol
Exact Mass269.08
IUPAC Name1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1csnn1
InChIInChI=1S/C12H13F2N3S/c1-8(15-6-9-7-18-17-16-9)5-10-11(13)3-2-4-12(10)14/h2-4,7-8,15H,5-6H2,1H3
InChIKeySTNTUHFAWQUAMW-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide
CID 75500898
1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57031214
N-[(2-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57131893
(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
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
4-[1,3-Bis[(4-fluorophenyl)methyl]-1,3-diazinane-1,3-diium-2-yl]thiadiazole
CID 7221582
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine (CID 54864212) is 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine is CC(Cc1c(F)cccc1F)NCc1csnn1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The InChIKey is STNTUHFAWQUAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S/c1-8(15-6-9-7-18-17-16-9)5-10-11(13)3-2-4-12(10)14/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine has a molecular weight of 269.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 54864212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).