4-propoxy-N-(thiatriazol-5-yl)benzamide

C11H12N4O2S — CID 19114284

IUPAC4-propoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCCOc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C11H12N4O2S/c1-2-7-17-9-5-3-8(4-6-9)10(16)12-11-13-14-15-18-11/h3-6H,2,7H2,1H3,(H,12,13,15,16)
InChIKeyBGJPWARAJGYEHT-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.97
Rot. Bonds5

About 4-propoxy-N-(thiatriazol-5-yl)benzamide

4-propoxy-N-(thiatriazol-5-yl)benzamide (PubChem CID 19114284) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-propoxy-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-propoxy-N-(thiatriazol-5-yl)benzamide
PubChem CID19114284
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-propoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCCOc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C11H12N4O2S/c1-2-7-17-9-5-3-8(4-6-9)10(16)12-11-13-14-15-18-11/h3-6H,2,7H2,1H3,(H,12,13,15,16)
InChIKeyBGJPWARAJGYEHT-UHFFFAOYSA-N
XLogP1.97
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-pentoxy-N-(thiatriazol-5-yl)benzamide
CID 19114286
4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
CID 19114290
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 26175377
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-propoxy-N-(thiatriazol-5-yl)benzamide (CID 19114284) is 4-propoxy-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-propoxy-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-propoxy-N-(thiatriazol-5-yl)benzamide is CCCOc1ccc(C(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-propoxy-N-(thiatriazol-5-yl)benzamide?
The InChIKey is BGJPWARAJGYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-7-17-9-5-3-8(4-6-9)10(16)12-11-13-14-15-18-11/h3-6H,2,7H2,1H3,(H,12,13,15,16).
What are the key properties of 4-propoxy-N-(thiatriazol-5-yl)benzamide?
4-propoxy-N-(thiatriazol-5-yl)benzamide has a molecular weight of 264.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 19114284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).