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

C13H16N4OS — CID 86768177

IUPAC2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2c(s1)CCCC2)n1cccn1
InChIInChI=1S/C13H16N4OS/c1-9(17-8-4-7-14-17)12(18)16-13-15-10-5-2-3-6-11(10)19-13/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,18)
InChIKeyXIBGRPWENQLVKI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.42
Rot. Bonds3

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

2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 86768177) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID86768177
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2c(s1)CCCC2)n1cccn1
InChIInChI=1S/C13H16N4OS/c1-9(17-8-4-7-14-17)12(18)16-13-15-10-5-2-3-6-11(10)19-13/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,18)
InChIKeyXIBGRPWENQLVKI-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 86768177) is 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is CC(C(=O)Nc1nc2c(s1)CCCC2)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is XIBGRPWENQLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(17-8-4-7-14-17)12(18)16-13-15-10-5-2-3-6-11(10)19-13/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,18).
What are the key properties of 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 86768177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).