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

C14H19N3OS — CID 43735008

IUPAC1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NCc1csnn1
InChIInChI=1S/C14H19N3OS/c1-10(2)18-14-7-5-4-6-13(14)11(3)15-8-12-9-19-17-16-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyUCTGVYNLPWJFIB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.18
Rot. Bonds6

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

1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43735008) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43735008
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NCc1csnn1
InChIInChI=1S/C14H19N3OS/c1-10(2)18-14-7-5-4-6-13(14)11(3)15-8-12-9-19-17-16-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyUCTGVYNLPWJFIB-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

(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 61169849
1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674167
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81401864
N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 132649493
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735003
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43735008) is 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(C)Oc1ccccc1C(C)NCc1csnn1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is UCTGVYNLPWJFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)18-14-7-5-4-6-13(14)11(3)15-8-12-9-19-17-16-12/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(2-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-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43735008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).