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N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C16H21N5OS — CID 50977536

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)c2cn3ccsc3n2)n(C)n1
InChIInChI=1S/C16H21N5OS/c1-10(2)7-12-8-14(20(4)19-12)15(22)17-11(3)13-9-21-5-6-23-16(21)18-13/h5-6,8-11H,7H2,1-4H3,(H,17,22)
InChIKeyZDLPWUNEUIXWJR-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.82
Rot. Bonds5

About N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 50977536) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID50977536
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)c2cn3ccsc3n2)n(C)n1
InChIInChI=1S/C16H21N5OS/c1-10(2)7-12-8-14(20(4)19-12)15(22)17-11(3)13-9-21-5-6-23-16(21)18-13/h5-6,8-11H,7H2,1-4H3,(H,17,22)
InChIKeyZDLPWUNEUIXWJR-UHFFFAOYSA-N
XLogP2.82
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 50977536) is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC(C)c2cn3ccsc3n2)n(C)n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is ZDLPWUNEUIXWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10(2)7-12-8-14(20(4)19-12)15(22)17-11(3)13-9-21-5-6-23-16(21)18-13/h5-6,8-11H,7H2,1-4H3,(H,17,22).
What are the key properties of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 50977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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