3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

C13H18N4OS — CID 30085535

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCn2nc(C)cc2C)n1
InChIInChI=1S/C13H18N4OS/c1-9-6-11(3)17(16-9)5-4-12(18)14-7-13-15-10(2)8-19-13/h6,8H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyLMLJKLBYOMKVJM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.97
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 30085535) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID30085535
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCn2nc(C)cc2C)n1
InChIInChI=1S/C13H18N4OS/c1-9-6-11(3)17(16-9)5-4-12(18)14-7-13-15-10(2)8-19-13/h6,8H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyLMLJKLBYOMKVJM-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 30085535) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)CCn2nc(C)cc2C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is LMLJKLBYOMKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-6-11(3)17(16-9)5-4-12(18)14-7-13-15-10(2)8-19-13/h6,8H,4-5,7H2,1-3H3,(H,14,18).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 278.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 30085535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).