2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C13H19N5OS — CID 91831739

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1
InChIInChI=1S/C13H19N5OS/c1-9-6-11(14)18(17-9)7-12(19)15-5-3-4-13-16-10(2)8-20-13/h6,8H,3-5,7,14H2,1-2H3,(H,15,19)
InChIKeyQAMWTAAUECVOQN-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.29
Rot. Bonds6

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 91831739) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID91831739
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1
InChIInChI=1S/C13H19N5OS/c1-9-6-11(14)18(17-9)7-12(19)15-5-3-4-13-16-10(2)8-20-13/h6,8H,3-5,7,14H2,1-2H3,(H,15,19)
InChIKeyQAMWTAAUECVOQN-UHFFFAOYSA-N
XLogP1.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 53618853
1-(1,5-Dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432206
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91793812
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
CID 138026009
N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
CID 164636597
1-(2,5-Dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 71986297
2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 75375280
1-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904300
1-(2,5-dimethylpyrazol-3-yl)-3-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904301

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 91831739) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is Cc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is QAMWTAAUECVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-6-11(14)18(17-9)7-12(19)15-5-3-4-13-16-10(2)8-20-13/h6,8H,3-5,7,14H2,1-2H3,(H,15,19).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91831739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).