N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C17H18N4O2S — CID 133318732

IUPACN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCOc1ccccc1Oc1ccc(CNc2nc(C)ns2)cn1
InChIInChI=1S/C17H18N4O2S/c1-3-22-14-6-4-5-7-15(14)23-16-9-8-13(10-18-16)11-19-17-20-12(2)21-24-17/h4-10H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyXUXQDHBXQSERSB-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.04
Rot. Bonds7

About N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133318732) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133318732
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCOc1ccccc1Oc1ccc(CNc2nc(C)ns2)cn1
InChIInChI=1S/C17H18N4O2S/c1-3-22-14-6-4-5-7-15(14)23-16-9-8-13(10-18-16)11-19-17-20-12(2)21-24-17/h4-10H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyXUXQDHBXQSERSB-UHFFFAOYSA-N
XLogP4.04
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318360
N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319260
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55805483
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine
CID 167873571
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006587
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
1-butyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111152170
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133318732) is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is CCOc1ccccc1Oc1ccc(CNc2nc(C)ns2)cn1.
What is the InChIKey of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XUXQDHBXQSERSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-22-14-6-4-5-7-15(14)23-16-9-8-13(10-18-16)11-19-17-20-12(2)21-24-17/h4-10H,3,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 342.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133318732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).