N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C13H18N4OS — CID 18129819

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc(NC(=O)Cc2c(C)nn(C)c2C)sc1C
InChIInChI=1S/C13H18N4OS/c1-7-10(4)19-13(14-7)15-12(18)6-11-8(2)16-17(5)9(11)3/h6H2,1-5H3,(H,14,15,18)
InChIKeyIVHZPSCAEOWNSF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.29
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 18129819) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID18129819
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc(NC(=O)Cc2c(C)nn(C)c2C)sc1C
InChIInChI=1S/C13H18N4OS/c1-7-10(4)19-13(14-7)15-12(18)6-11-8(2)16-17(5)9(11)3/h6H2,1-5H3,(H,14,15,18)
InChIKeyIVHZPSCAEOWNSF-UHFFFAOYSA-N
XLogP2.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 18129819) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nc(NC(=O)Cc2c(C)nn(C)c2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is IVHZPSCAEOWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7-10(4)19-13(14-7)15-12(18)6-11-8(2)16-17(5)9(11)3/h6H2,1-5H3,(H,14,15,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18129819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).