N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C14H19N3OS — CID 133428331

IUPACN-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOCc1ccc(Nc2nc(C(C)C)ns2)cc1
InChIInChI=1S/C14H19N3OS/c1-4-18-9-11-5-7-12(8-6-11)15-14-16-13(10(2)3)17-19-14/h5-8,10H,4,9H2,1-3H3,(H,15,16,17)
InChIKeyKZGIUEDXOCPBAO-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133428331) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133428331
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOCc1ccc(Nc2nc(C(C)C)ns2)cc1
InChIInChI=1S/C14H19N3OS/c1-4-18-9-11-5-7-12(8-6-11)15-14-16-13(10(2)3)17-19-14/h5-8,10H,4,9H2,1-3H3,(H,15,16,17)
InChIKeyKZGIUEDXOCPBAO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133428331) is N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCOCc1ccc(Nc2nc(C(C)C)ns2)cc1.
What is the InChIKey of N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is KZGIUEDXOCPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-18-9-11-5-7-12(8-6-11)15-14-16-13(10(2)3)17-19-14/h5-8,10H,4,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 277.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).