N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide

C13H15N5OS — CID 72900979

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cn2ccsc2n1)n1cccn1
InChIInChI=1S/C13H15N5OS/c1-2-11(18-5-3-4-15-18)12(19)14-8-10-9-17-6-7-20-13(17)16-10/h3-7,9,11H,2,8H2,1H3,(H,14,19)
InChIKeyQSODCLXZDZZGBS-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.86
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide (PubChem CID 72900979) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide
PubChem CID72900979
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cn2ccsc2n1)n1cccn1
InChIInChI=1S/C13H15N5OS/c1-2-11(18-5-3-4-15-18)12(19)14-8-10-9-17-6-7-20-13(17)16-10/h3-7,9,11H,2,8H2,1H3,(H,14,19)
InChIKeyQSODCLXZDZZGBS-UHFFFAOYSA-N
XLogP1.86
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide (CID 72900979) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1cn2ccsc2n1)n1cccn1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide?
The InChIKey is QSODCLXZDZZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-2-11(18-5-3-4-15-18)12(19)14-8-10-9-17-6-7-20-13(17)16-10/h3-7,9,11H,2,8H2,1H3,(H,14,19).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide has a molecular weight of 289.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72900979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).