N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide

C15H20N4OS — CID 53499521

IUPACN-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCCC1CCc2nc(NC(=O)C(C)n3cccn3)sc2C1
InChIInChI=1S/C15H20N4OS/c1-3-11-5-6-12-13(9-11)21-15(17-12)18-14(20)10(2)19-8-4-7-16-19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,20)
InChIKeyKSRGSKKLYYUTOD-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.05
Rot. Bonds4

About N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide

N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide (PubChem CID 53499521) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide
PubChem CID53499521
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCCC1CCc2nc(NC(=O)C(C)n3cccn3)sc2C1
InChIInChI=1S/C15H20N4OS/c1-3-11-5-6-12-13(9-11)21-15(17-12)18-14(20)10(2)19-8-4-7-16-19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,20)
InChIKeyKSRGSKKLYYUTOD-UHFFFAOYSA-N
XLogP3.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide (CID 53499521) is N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide is CCC1CCc2nc(NC(=O)C(C)n3cccn3)sc2C1.
What is the InChIKey of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The InChIKey is KSRGSKKLYYUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-11-5-6-12-13(9-11)21-15(17-12)18-14(20)10(2)19-8-4-7-16-19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide?
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 53499521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).