N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide

C14H17N5OS — CID 70728734

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCc2cn3ccsc3n2)cn1
InChIInChI=1S/C14H17N5OS/c1-10(2)19-8-11(7-16-19)13(20)15-4-3-12-9-18-5-6-21-14(18)17-12/h5-10H,3-4H2,1-2H3,(H,15,20)
InChIKeyJFJIZJLWXCZYBU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.15
Rot. Bonds5

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70728734) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70728734
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCc2cn3ccsc3n2)cn1
InChIInChI=1S/C14H17N5OS/c1-10(2)19-8-11(7-16-19)13(20)15-4-3-12-9-18-5-6-21-14(18)17-12/h5-10H,3-4H2,1-2H3,(H,15,20)
InChIKeyJFJIZJLWXCZYBU-UHFFFAOYSA-N
XLogP2.15
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 70728734) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCCc2cn3ccsc3n2)cn1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JFJIZJLWXCZYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10(2)19-8-11(7-16-19)13(20)15-4-3-12-9-18-5-6-21-14(18)17-12/h5-10H,3-4H2,1-2H3,(H,15,20).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70728734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).