2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide

C13H19N5OS — CID 29183967

IUPAC2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCCc1c(C)n[nH]c1C
InChIInChI=1S/C13H19N5OS/c1-7-10(8(2)18-17-7)5-4-6-15-12(19)11-9(3)16-13(14)20-11/h4-6H2,1-3H3,(H2,14,16)(H,15,19)(H,17,18)
InChIKeyWAZFGPMYYIWDBF-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 29183967) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID29183967
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCCc1c(C)n[nH]c1C
InChIInChI=1S/C13H19N5OS/c1-7-10(8(2)18-17-7)5-4-6-15-12(19)11-9(3)16-13(14)20-11/h4-6H2,1-3H3,(H2,14,16)(H,15,19)(H,17,18)
InChIKeyWAZFGPMYYIWDBF-UHFFFAOYSA-N
XLogP1.74
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.74
H-Bond Donors ≤ 53
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 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 29183967) is 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCCCc1c(C)n[nH]c1C.
What is the InChIKey of 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WAZFGPMYYIWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-7-10(8(2)18-17-7)5-4-6-15-12(19)11-9(3)16-13(14)20-11/h4-6H2,1-3H3,(H2,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 29183967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).