1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine

C15H19F2N3S — CID 105175903

IUPAC1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1snnc1C(C)(C)C)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N3S/c1-8-6-7-9(16)10(11(8)17)12(18-5)13-14(15(2,3)4)19-20-21-13/h6-7,12,18H,1-5H3
InChIKeyYGRDULDYQLMVPH-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine

1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 105175903) has the molecular formula C15H19F2N3S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID105175903
Molecular FormulaC15H19F2N3S
Molecular Weight311.40 g/mol
Exact Mass311.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1snnc1C(C)(C)C)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N3S/c1-8-6-7-9(16)10(11(8)17)12(18-5)13-14(15(2,3)4)19-20-21-13/h6-7,12,18H,1-5H3
InChIKeyYGRDULDYQLMVPH-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130322
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105302694
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305034
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105173976
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142749
1-(2,6-difluoro-3-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105027103
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine (CID 105175903) is 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1snnc1C(C)(C)C)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is YGRDULDYQLMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3S/c1-8-6-7-9(16)10(11(8)17)12(18-5)13-14(15(2,3)4)19-20-21-13/h6-7,12,18H,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 311.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105175903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).