1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

C14H18FN3S — CID 106883917

IUPAC1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H18FN3S/c1-5-11-14(19-18-17-11)13(16-4)12-9(3)6-8(2)7-10(12)15/h6-7,13,16H,5H2,1-4H3
InChIKeyBHHDLCVEJXFEPK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106883917) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106883917
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H18FN3S/c1-5-11-14(19-18-17-11)13(16-4)12-9(3)6-8(2)7-10(12)15/h6-7,13,16H,5H2,1-4H3
InChIKeyBHHDLCVEJXFEPK-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine
CID 100024156
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57031214
N-[(2-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57131893
N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209005
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209008
N-[[4-(2,5-difluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209009
N-[[4-(4-fluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209065
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209076
1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
CID 65209114
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]propan-1-amine
CID 65209118
N-[[4-(2,5-difluorophenyl)thiadiazol-5-yl]methyl]propan-1-amine
CID 65209119
N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209129

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (CID 106883917) is 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is CCc1nnsc1C(NC)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is BHHDLCVEJXFEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-5-11-14(19-18-17-11)13(16-4)12-9(3)6-8(2)7-10(12)15/h6-7,13,16H,5H2,1-4H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106883917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).