2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide

C17H17N5OS — CID 56705409

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CC1=CSC2=NCCN12)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C17H17N5OS/c23-16(10-15-12-24-17-18-6-8-21(15)17)19-11-13-3-1-4-14(9-13)22-7-2-5-20-22/h1-5,7,9,12H,6,8,10-11H2,(H,19,23)
InChIKeyIHHFLSMUUZPJIZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.14
Rot. Bonds5

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 56705409) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID56705409
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CC1=CSC2=NCCN12)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C17H17N5OS/c23-16(10-15-12-24-17-18-6-8-21(15)17)19-11-13-3-1-4-14(9-13)22-7-2-5-20-22/h1-5,7,9,12H,6,8,10-11H2,(H,19,23)
InChIKeyIHHFLSMUUZPJIZ-UHFFFAOYSA-N
XLogP2.14
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29183806
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 91832559
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 108800450
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967080
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1-phenylethyl)acetamide
CID 108787519
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 86967097
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 86967084
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108800493
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 71861150

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide (CID 56705409) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide is O=C(CC1=CSC2=NCCN12)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is IHHFLSMUUZPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-16(10-15-12-24-17-18-6-8-21(15)17)19-11-13-3-1-4-14(9-13)22-7-2-5-20-22/h1-5,7,9,12H,6,8,10-11H2,(H,19,23).
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 56705409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).