3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide

C13H18N4OS — CID 138996177

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
SMILESCc1ncsc1NC(=O)CC(C)c1c(C)n[nH]c1C
InChIInChI=1S/C13H18N4OS/c1-7(12-8(2)16-17-9(12)3)5-11(18)15-13-10(4)14-6-19-13/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGFKMWVVBPHEVBA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.92
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide (PubChem CID 138996177) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
PubChem CID138996177
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
SMILESCc1ncsc1NC(=O)CC(C)c1c(C)n[nH]c1C
InChIInChI=1S/C13H18N4OS/c1-7(12-8(2)16-17-9(12)3)5-11(18)15-13-10(4)14-6-19-13/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGFKMWVVBPHEVBA-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide (CID 138996177) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide is Cc1ncsc1NC(=O)CC(C)c1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
The InChIKey is GFKMWVVBPHEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7(12-8(2)16-17-9(12)3)5-11(18)15-13-10(4)14-6-19-13/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide has a molecular weight of 278.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide is sourced from PubChem (CID 138996177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).