N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C14H20N4OS — CID 50745190

IUPACN-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C14H20N4OS/c1-5-6-7-15-13(19)12-11(4)16-14(20-12)18-10(3)8-9(2)17-18/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyVCQDZCDKRPZTPU-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.78
Rot. Bonds5

About N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50745190) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50745190
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C14H20N4OS/c1-5-6-7-15-13(19)12-11(4)16-14(20-12)18-10(3)8-9(2)17-18/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyVCQDZCDKRPZTPU-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.78
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-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 50745190) is N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCNC(=O)c1sc(-n2nc(C)cc2C)nc1C.
What is the InChIKey of N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VCQDZCDKRPZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-6-7-15-13(19)12-11(4)16-14(20-12)18-10(3)8-9(2)17-18/h8H,5-7H2,1-4H3,(H,15,19).
What are the key properties of N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50745190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).