N-[(4-ethylthiadiazol-5-yl)methyl]aniline

C11H13N3S — CID 65205157

IUPACN-[(4-ethylthiadiazol-5-yl)methyl]aniline
SMILESCCc1nnsc1CNc1ccccc1
InChIInChI=1S/C11H13N3S/c1-2-10-11(15-14-13-10)8-12-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChIKeyZWJARBYSSSVGTR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.71
Rot. Bonds4

About N-[(4-ethylthiadiazol-5-yl)methyl]aniline

N-[(4-ethylthiadiazol-5-yl)methyl]aniline (PubChem CID 65205157) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)methyl]aniline
PubChem CID65205157
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(4-ethylthiadiazol-5-yl)methyl]aniline
SMILESCCc1nnsc1CNc1ccccc1
InChIInChI=1S/C11H13N3S/c1-2-10-11(15-14-13-10)8-12-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChIKeyZWJARBYSSSVGTR-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)methyl]aniline?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)methyl]aniline (CID 65205157) is N-[(4-ethylthiadiazol-5-yl)methyl]aniline.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)methyl]aniline?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)methyl]aniline is CCc1nnsc1CNc1ccccc1.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)methyl]aniline?
The InChIKey is ZWJARBYSSSVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-10-11(15-14-13-10)8-12-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)methyl]aniline?
N-[(4-ethylthiadiazol-5-yl)methyl]aniline has a molecular weight of 219.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 65205157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).