N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H15N5OS — CID 56752560

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cn3ccsc3n2)n[nH]1
InChIInChI=1S/C13H15N5OS/c1-8(5-10-6-9(2)16-17-10)14-12(19)11-7-18-3-4-20-13(18)15-11/h3-4,6-8H,5H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyVNZGMPHMQBZELV-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.79
Rot. Bonds4

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 56752560) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID56752560
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cn3ccsc3n2)n[nH]1
InChIInChI=1S/C13H15N5OS/c1-8(5-10-6-9(2)16-17-10)14-12(19)11-7-18-3-4-20-13(18)15-11/h3-4,6-8H,5H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyVNZGMPHMQBZELV-UHFFFAOYSA-N
XLogP1.79
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 56752560) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1cc(CC(C)NC(=O)c2cn3ccsc3n2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is VNZGMPHMQBZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8(5-10-6-9(2)16-17-10)14-12(19)11-7-18-3-4-20-13(18)15-11/h3-4,6-8H,5H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 56752560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).