N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

C15H22N4OS2 — CID 50970960

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCCSc1nc(CC(=O)NC(C)Cn2nc(C)cc2C)cs1
InChIInChI=1S/C15H22N4OS2/c1-5-21-15-17-13(9-22-15)7-14(20)16-11(3)8-19-12(4)6-10(2)18-19/h6,9,11H,5,7-8H2,1-4H3,(H,16,20)
InChIKeyORTTUHSISFRXCD-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.82
Rot. Bonds7

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide (PubChem CID 50970960) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
PubChem CID50970960
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCCSc1nc(CC(=O)NC(C)Cn2nc(C)cc2C)cs1
InChIInChI=1S/C15H22N4OS2/c1-5-21-15-17-13(9-22-15)7-14(20)16-11(3)8-19-12(4)6-10(2)18-19/h6,9,11H,5,7-8H2,1-4H3,(H,16,20)
InChIKeyORTTUHSISFRXCD-UHFFFAOYSA-N
XLogP2.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide (CID 50970960) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide is CCSc1nc(CC(=O)NC(C)Cn2nc(C)cc2C)cs1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ORTTUHSISFRXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c1-5-21-15-17-13(9-22-15)7-14(20)16-11(3)8-19-12(4)6-10(2)18-19/h6,9,11H,5,7-8H2,1-4H3,(H,16,20).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 50970960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).