4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide

C10H11N5OS — CID 114912391

IUPAC4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
SMILESNCCc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C10H11N5OS/c11-6-5-7-1-3-8(4-2-7)9(16)12-10-13-14-15-17-10/h1-4H,5-6,11H2,(H,12,13,15,16)
InChIKeyYNZFDFFBHADXCK-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.69
Rot. Bonds4

About 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide

4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide (PubChem CID 114912391) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
PubChem CID114912391
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
SMILESNCCc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C10H11N5OS/c11-6-5-7-1-3-8(4-2-7)9(16)12-10-13-14-15-17-10/h1-4H,5-6,11H2,(H,12,13,15,16)
InChIKeyYNZFDFFBHADXCK-UHFFFAOYSA-N
XLogP0.69
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912577
4-[2-(thiatriazol-5-ylcarbamoylamino)ethyl]benzoic acid
CID 114913311
4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
CID 19114290
4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
4-(2-aminoethyl)-N-cyanobenzamide
CID 79194320
4-pentoxy-N-(thiatriazol-5-yl)benzamide
CID 19114286
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
CID 103222246

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide (CID 114912391) is 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide is NCCc1ccc(C(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide?
The InChIKey is YNZFDFFBHADXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c11-6-5-7-1-3-8(4-2-7)9(16)12-10-13-14-15-17-10/h1-4H,5-6,11H2,(H,12,13,15,16).
What are the key properties of 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide?
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide has a molecular weight of 249.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114912391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).