N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine

C15H21N3S — CID 105144821

IUPACN-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1snnc1C
InChIInChI=1S/C15H21N3S/c1-5-16-14(15-11(4)17-18-19-15)13-8-6-12(7-9-13)10(2)3/h6-10,14,16H,5H2,1-4H3
InChIKeyRIXVAPZOTHGQIZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.67
Rot. Bonds5

About N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine

N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 105144821) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID105144821
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1snnc1C
InChIInChI=1S/C15H21N3S/c1-5-16-14(15-11(4)17-18-19-15)13-8-6-12(7-9-13)10(2)3/h6-10,14,16H,5H2,1-4H3
InChIKeyRIXVAPZOTHGQIZ-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188445
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144822
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
CID 105141334
1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105076322
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(2,6-dimethyl-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107503716
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
[(3,4-dichlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105281260

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine (CID 105144821) is N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1)c1snnc1C.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is RIXVAPZOTHGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-16-14(15-11(4)17-18-19-15)13-8-6-12(7-9-13)10(2)3/h6-10,14,16H,5H2,1-4H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine?
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 105144821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).