1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C14H19N3OS — CID 43674167

IUPAC1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2csnn2)cc1
InChIInChI=1S/C14H19N3OS/c1-10(2)18-14-6-4-12(5-7-14)11(3)15-8-13-9-19-17-16-13/h4-7,9-11,15H,8H2,1-3H3
InChIKeyDNUWEDXQMZGZKL-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43674167) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43674167
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2csnn2)cc1
InChIInChI=1S/C14H19N3OS/c1-10(2)18-14-6-4-12(5-7-14)11(3)15-8-13-9-19-17-16-13/h4-7,9-11,15H,8H2,1-3H3
InChIKeyDNUWEDXQMZGZKL-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 122134764
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81401864

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43674167) is 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(C)Oc1ccc(C(C)NCc2csnn2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is DNUWEDXQMZGZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)18-14-6-4-12(5-7-14)11(3)15-8-13-9-19-17-16-13/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43674167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).