5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine

C14H19N3OS — CID 106681518

IUPAC5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2c(C)cc(C)cc2OC)s1
InChIInChI=1S/C14H19N3OS/c1-5-6-15-14-17-16-13(19-14)12-10(3)7-9(2)8-11(12)18-4/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyYPWSDMKHYPKKOS-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.65
Rot. Bonds5

About 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 106681518) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID106681518
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2c(C)cc(C)cc2OC)s1
InChIInChI=1S/C14H19N3OS/c1-5-6-15-14-17-16-13(19-14)12-10(3)7-9(2)8-11(12)18-4/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyYPWSDMKHYPKKOS-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037923
3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine
CID 106681436
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
N-propyl-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775251
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
CID 82549501
5-[(2-chloro-4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614131
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 106681518) is 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2c(C)cc(C)cc2OC)s1.
What is the InChIKey of 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YPWSDMKHYPKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-6-15-14-17-16-13(19-14)12-10(3)7-9(2)8-11(12)18-4/h7-8H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106681518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).