N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

C14H18N4O2S — CID 75434648

IUPACN-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(CNc2nc(N3CCOCC3)ns2)cc1
InChIInChI=1S/C14H18N4O2S/c1-19-12-4-2-11(3-5-12)10-15-14-16-13(17-21-14)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3,(H,15,16,17)
InChIKeyOLTJEPOBKHAROS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.00
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 75434648) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID75434648
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(CNc2nc(N3CCOCC3)ns2)cc1
InChIInChI=1S/C14H18N4O2S/c1-19-12-4-2-11(3-5-12)10-15-14-16-13(17-21-14)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3,(H,15,16,17)
InChIKeyOLTJEPOBKHAROS-UHFFFAOYSA-N
XLogP2.00
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (CID 75434648) is N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is COc1ccc(CNc2nc(N3CCOCC3)ns2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OLTJEPOBKHAROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-19-12-4-2-11(3-5-12)10-15-14-16-13(17-21-14)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3,(H,15,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 306.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75434648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).