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

C14H20N4OS — CID 46265271

IUPACN-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCCCNC(=O)Cc1csc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H20N4OS/c1-4-5-6-15-13(19)8-12-9-20-14(16-12)18-11(3)7-10(2)17-18/h7,9H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyDTMZVYMBLINDQC-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.40
Rot. Bonds6

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

N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46265271) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46265271
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCCCNC(=O)Cc1csc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H20N4OS/c1-4-5-6-15-13(19)8-12-9-20-14(16-12)18-11(3)7-10(2)17-18/h7,9H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyDTMZVYMBLINDQC-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide (CID 46265271) is N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide is CCCCNC(=O)Cc1csc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DTMZVYMBLINDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-5-6-15-13(19)8-12-9-20-14(16-12)18-11(3)7-10(2)17-18/h7,9H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 292.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46265271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).