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

C13H17N3OS — CID 65209436

IUPAC5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(OCC(C)Nc2nnc(C)s2)cc1
InChIInChI=1S/C13H17N3OS/c1-9-4-6-12(7-5-9)17-8-10(2)14-13-16-15-11(3)18-13/h4-7,10H,8H2,1-3H3,(H,14,16)
InChIKeyCKMRCKQJXJSXLC-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.03
Rot. Bonds5

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

5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 65209436) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID65209436
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(OCC(C)Nc2nnc(C)s2)cc1
InChIInChI=1S/C13H17N3OS/c1-9-4-6-12(7-5-9)17-8-10(2)14-13-16-15-11(3)18-13/h4-7,10H,8H2,1-3H3,(H,14,16)
InChIKeyCKMRCKQJXJSXLC-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
CID 61166762
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103359367
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
5-methyl-N-[4-(3-methylphenyl)butan-2-yl]-1,3,4-thiadiazol-2-amine
CID 107648361
5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459689
2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
CID 61166764
4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
CID 115974641
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-(1-cyclopropylpropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208992
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
2-methyl-N-[5-[1-(4-methylphenoxy)propan-2-ylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133252006

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine (CID 65209436) is 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine is Cc1ccc(OCC(C)Nc2nnc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CKMRCKQJXJSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-4-6-12(7-5-9)17-8-10(2)14-13-16-15-11(3)18-13/h4-7,10H,8H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).