1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

C15H21N3OS — CID 105144640

IUPAC1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCc1nnsc1C(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3OS/c1-5-13-15(20-18-17-13)14(16-4)11-6-8-12(9-7-11)19-10(2)3/h6-10,14,16H,5H2,1-4H3
InChIKeyKETYJPZRVDCMRY-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 105144640) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID105144640
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCc1nnsc1C(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3OS/c1-5-13-15(20-18-17-13)14(16-4)11-6-8-12(9-7-11)19-10(2)3/h6-10,14,16H,5H2,1-4H3
InChIKeyKETYJPZRVDCMRY-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105145714
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (CID 105144640) is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is CCc1nnsc1C(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is KETYJPZRVDCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-13-15(20-18-17-13)14(16-4)11-6-8-12(9-7-11)19-10(2)3/h6-10,14,16H,5H2,1-4H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105144640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).