N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C11H9N3S2 — CID 115924581

IUPACN-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2sc(CNc3nncs3)cc2c1
InChIInChI=1S/C11H9N3S2/c1-2-4-10-8(3-1)5-9(16-10)6-12-11-14-13-7-15-11/h1-5,7H,6H2,(H,12,14)
InChIKeyICDMDWVJQCFYKI-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.36
Rot. Bonds3

About N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine

N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115924581) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115924581
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC NameN-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2sc(CNc3nncs3)cc2c1
InChIInChI=1S/C11H9N3S2/c1-2-4-10-8(3-1)5-9(16-10)6-12-11-14-13-7-15-11/h1-5,7H,6H2,(H,12,14)
InChIKeyICDMDWVJQCFYKI-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933793
2-(fluoromethyl)-1-benzothiophene
CID 119085404
3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide
CID 75384490
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide
CID 171823190
1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194308
N-[[4-(chloromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 107233099
2-butyl-1-benzothiophene
CID 70061043
1-(1-benzothiophen-2-yl)propan-2-ylhydrazine
CID 119083055
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 115924581) is N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine is c1ccc2sc(CNc3nncs3)cc2c1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ICDMDWVJQCFYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c1-2-4-10-8(3-1)5-9(16-10)6-12-11-14-13-7-15-11/h1-5,7H,6H2,(H,12,14).
What are the key properties of N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).