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

C14H17N5OS — CID 72896210

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCCc1cn2ccsc2n1)n1cccn1
InChIInChI=1S/C14H17N5OS/c1-2-12(19-7-3-5-16-19)13(20)15-6-4-11-10-18-8-9-21-14(18)17-11/h3,5,7-10,12H,2,4,6H2,1H3,(H,15,20)
InChIKeyIUWXOXLPYINWEB-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.90
Rot. Bonds6

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

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide (PubChem CID 72896210) 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)-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide
PubChem CID72896210
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCCc1cn2ccsc2n1)n1cccn1
InChIInChI=1S/C14H17N5OS/c1-2-12(19-7-3-5-16-19)13(20)15-6-4-11-10-18-8-9-21-14(18)17-11/h3,5,7-10,12H,2,4,6H2,1H3,(H,15,20)
InChIKeyIUWXOXLPYINWEB-UHFFFAOYSA-N
XLogP1.90
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.90
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)-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide (CID 72896210) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCCc1cn2ccsc2n1)n1cccn1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide?
The InChIKey is IUWXOXLPYINWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-12(19-7-3-5-16-19)13(20)15-6-4-11-10-18-8-9-21-14(18)17-11/h3,5,7-10,12H,2,4,6H2,1H3,(H,15,20).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrazol-1-ylbutanamide has a molecular weight of 303.39 g/mol, XLogP of 1.90, 6 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)-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72896210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).