N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide

C13H18N4OS — CID 72882163

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCc1csc(CNC(=O)C(CC)n2cccn2)n1
InChIInChI=1S/C13H18N4OS/c1-3-10-9-19-12(16-10)8-14-13(18)11(4-2)17-7-5-6-15-17/h5-7,9,11H,3-4,8H2,1-2H3,(H,14,18)
InChIKeyQTLLKWLMCQESCW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.17
Rot. Bonds6

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 72882163) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID72882163
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCc1csc(CNC(=O)C(CC)n2cccn2)n1
InChIInChI=1S/C13H18N4OS/c1-3-10-9-19-12(16-10)8-14-13(18)11(4-2)17-7-5-6-15-17/h5-7,9,11H,3-4,8H2,1-2H3,(H,14,18)
InChIKeyQTLLKWLMCQESCW-UHFFFAOYSA-N
XLogP2.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 72882163) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide is CCc1csc(CNC(=O)C(CC)n2cccn2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is QTLLKWLMCQESCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-10-9-19-12(16-10)8-14-13(18)11(4-2)17-7-5-6-15-17/h5-7,9,11H,3-4,8H2,1-2H3,(H,14,18).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 278.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72882163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).