N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide

C13H18N4OS — CID 126421523

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCc1cc(C)nn1C
InChIInChI=1S/C13H18N4OS/c1-5-11-12(19-9(3)15-11)13(18)14-7-10-6-8(2)16-17(10)4/h6H,5,7H2,1-4H3,(H,14,18)
InChIKeyWLEATHIAFICLLD-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.99
Rot. Bonds4

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 126421523) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID126421523
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCc1cc(C)nn1C
InChIInChI=1S/C13H18N4OS/c1-5-11-12(19-9(3)15-11)13(18)14-7-10-6-8(2)16-17(10)4/h6H,5,7H2,1-4H3,(H,14,18)
InChIKeyWLEATHIAFICLLD-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19292744
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide (CID 126421523) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)sc1C(=O)NCc1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WLEATHIAFICLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-11-12(19-9(3)15-11)13(18)14-7-10-6-8(2)16-17(10)4/h6H,5,7H2,1-4H3,(H,14,18).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126421523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).