(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

C14H19N3OS — CID 105144931

IUPAC(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCCOc1ccccc1C(N)c1snnc1C(C)C
InChIInChI=1S/C14H19N3OS/c1-4-18-11-8-6-5-7-10(11)12(15)14-13(9(2)3)16-17-19-14/h5-9,12H,4,15H2,1-3H3
InChIKeyBVTNNOKEFOYBPY-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.11
Rot. Bonds5

About (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105144931) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105144931
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCCOc1ccccc1C(N)c1snnc1C(C)C
InChIInChI=1S/C14H19N3OS/c1-4-18-11-8-6-5-7-10(11)12(15)14-13(9(2)3)16-17-19-14/h5-9,12H,4,15H2,1-3H3
InChIKeyBVTNNOKEFOYBPY-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
CID 105144930
(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105176488
(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105175454
2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105107359
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105117017
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105144931) is (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is CCOc1ccccc1C(N)c1snnc1C(C)C.
What is the InChIKey of (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is BVTNNOKEFOYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-18-11-8-6-5-7-10(11)12(15)14-13(9(2)3)16-17-19-14/h5-9,12H,4,15H2,1-3H3.
What are the key properties of (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105144931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).