3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide

C14H15N5OS — CID 122560454

IUPAC3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NCCn1cncn1
InChIInChI=1S/C14H15N5OS/c20-13(16-7-8-19-10-15-9-17-19)5-6-14-18-11-3-1-2-4-12(11)21-14/h1-4,9-10H,5-8H2,(H,16,20)
InChIKeyIKCJBYNNAHAANH-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.64
Rot. Bonds6

About 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide (PubChem CID 122560454) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
PubChem CID122560454
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NCCn1cncn1
InChIInChI=1S/C14H15N5OS/c20-13(16-7-8-19-10-15-9-17-19)5-6-14-18-11-3-1-2-4-12(11)21-14/h1-4,9-10H,5-8H2,(H,16,20)
InChIKeyIKCJBYNNAHAANH-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880986
3-(1,3-benzothiazol-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654358
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 71983746
3-(1,3-benzothiazol-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 18104552
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 118770019
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 24542870
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115699694
methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate
CID 9221053
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 27161964
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide (CID 122560454) is 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide is O=C(CCc1nc2ccccc2s1)NCCn1cncn1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The InChIKey is IKCJBYNNAHAANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c20-13(16-7-8-19-10-15-9-17-19)5-6-14-18-11-3-1-2-4-12(11)21-14/h1-4,9-10H,5-8H2,(H,16,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide has a molecular weight of 301.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 122560454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).