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

C14H19N3O2S — CID 65270936

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H19N3O2S/c1-4-5-13-16-14(20-17-13)15-9-10-6-7-11(18-2)12(8-10)19-3/h6-8H,4-5,9H2,1-3H3,(H,15,16,17)
InChIKeyYKHSYRMQZHJENS-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.12
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65270936) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65270936
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H19N3O2S/c1-4-5-13-16-14(20-17-13)15-9-10-6-7-11(18-2)12(8-10)19-3/h6-8H,4-5,9H2,1-3H3,(H,15,16,17)
InChIKeyYKHSYRMQZHJENS-UHFFFAOYSA-N
XLogP3.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65270936) is N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YKHSYRMQZHJENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-5-13-16-14(20-17-13)15-9-10-6-7-11(18-2)12(8-10)19-3/h6-8H,4-5,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 293.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).