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

C16H23N3OS — CID 80610433

IUPAC5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COc2cc(C)ccc2C(C)C)s1
InChIInChI=1S/C16H23N3OS/c1-5-8-17-16-19-18-15(21-16)10-20-14-9-12(4)6-7-13(14)11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,19)
InChIKeyCEKXDGMUHLIBGR-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.37
Rot. Bonds7

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

5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80610433) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80610433
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COc2cc(C)ccc2C(C)C)s1
InChIInChI=1S/C16H23N3OS/c1-5-8-17-16-19-18-15(21-16)10-20-14-9-12(4)6-7-13(14)11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,19)
InChIKeyCEKXDGMUHLIBGR-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614131
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
5-[(2-bromophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607857
5-[(2,3-difluorophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614729
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
3-methoxy-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methoxy]benzonitrile
CID 80610430
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826
N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 103045654
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbothioamide
CID 82516151
5-[(4-tert-butyl-2-methylphenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80601503
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
CID 82516153
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
CID 82516152

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80610433) is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(COc2cc(C)ccc2C(C)C)s1.
What is the InChIKey of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CEKXDGMUHLIBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-8-17-16-19-18-15(21-16)10-20-14-9-12(4)6-7-13(14)11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,19).
What are the key properties of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 305.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80610433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).