N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide

C13H19N5OS — CID 70741951

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCCc2csc(N)n2)cn1
InChIInChI=1S/C13H19N5OS/c1-9(2)18-7-10(6-16-18)12(19)15-5-3-4-11-8-20-13(14)17-11/h6-9H,3-5H2,1-2H3,(H2,14,17)(H,15,19)
InChIKeyMUWVOUYAVQHNSW-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.87
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70741951) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70741951
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCCc2csc(N)n2)cn1
InChIInChI=1S/C13H19N5OS/c1-9(2)18-7-10(6-16-18)12(19)15-5-3-4-11-8-20-13(14)17-11/h6-9H,3-5H2,1-2H3,(H2,14,17)(H,15,19)
InChIKeyMUWVOUYAVQHNSW-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70741951) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCCCc2csc(N)n2)cn1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MUWVOUYAVQHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)18-7-10(6-16-18)12(19)15-5-3-4-11-8-20-13(14)17-11/h6-9H,3-5H2,1-2H3,(H2,14,17)(H,15,19).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70741951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).