5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine

C14H15N3OS — CID 114734601

IUPAC5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc3cccc(C)c3o2)s1
InChIInChI=1S/C14H15N3OS/c1-3-7-15-14-17-16-13(19-14)11-8-10-6-4-5-9(2)12(10)18-11/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyWZRTZNSDTLLTID-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.08
Rot. Bonds4

About 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 114734601) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID114734601
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc3cccc(C)c3o2)s1
InChIInChI=1S/C14H15N3OS/c1-3-7-15-14-17-16-13(19-14)11-8-10-6-4-5-9(2)12(10)18-11/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyWZRTZNSDTLLTID-UHFFFAOYSA-N
XLogP4.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734394
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114734476
N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424522
5-(4-aminophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 5270660
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114733478
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 114734601) is 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cc3cccc(C)c3o2)s1.
What is the InChIKey of 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WZRTZNSDTLLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-7-15-14-17-16-13(19-14)11-8-10-6-4-5-9(2)12(10)18-11/h4-6,8H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114734601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).