N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine

C13H17N3OS — CID 107648558

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1ccc(C(C)Nc2nncs2)cc1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-12-6-4-11(5-7-12)10(3)15-13-16-14-8-18-13/h4-10H,1-3H3,(H,15,16)
InChIKeyJUEPNGIHGABKTL-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine

N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648558) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648558
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1ccc(C(C)Nc2nncs2)cc1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-12-6-4-11(5-7-12)10(3)15-13-16-14-8-18-13/h4-10H,1-3H3,(H,15,16)
InChIKeyJUEPNGIHGABKTL-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
CID 107648522
4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol
CID 107648836
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648902
N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648720
N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine
CID 43190598
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
1-(4-propan-2-yloxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242424
1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674167
3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol
CID 43207017
2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43736715
N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648838

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107648558) is N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is CC(C)Oc1ccc(C(C)Nc2nncs2)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JUEPNGIHGABKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)17-12-6-4-11(5-7-12)10(3)15-13-16-14-8-18-13/h4-10H,1-3H3,(H,15,16).
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).