3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C16H16N4OS — CID 133358155

IUPAC3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC(c2ccccc2)c2ccccn2)n1
InChIInChI=1S/C16H16N4OS/c1-21-11-14-18-16(22-20-14)19-15(12-7-3-2-4-8-12)13-9-5-6-10-17-13/h2-10,15H,11H2,1H3,(H,18,19,20)
InChIKeyBSKPGTVMTYELGD-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.28
Rot. Bonds6

About 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133358155) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133358155
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC(c2ccccc2)c2ccccn2)n1
InChIInChI=1S/C16H16N4OS/c1-21-11-14-18-16(22-20-14)19-15(12-7-3-2-4-8-12)13-9-5-6-10-17-13/h2-10,15H,11H2,1H3,(H,18,19,20)
InChIKeyBSKPGTVMTYELGD-UHFFFAOYSA-N
XLogP3.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
CID 126774023
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-(2-chloro-1-phenylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277700
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81389419
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 52517313
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 133358155) is 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is COCc1nsc(NC(c2ccccc2)c2ccccn2)n1.
What is the InChIKey of 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BSKPGTVMTYELGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-21-11-14-18-16(22-20-14)19-15(12-7-3-2-4-8-12)13-9-5-6-10-17-13/h2-10,15H,11H2,1H3,(H,18,19,20).
What are the key properties of 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 312.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).