N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide

C19H15N5OS — CID 44586769

IUPACN-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C19H15N5OS/c1-13(25)21-18-20-10-9-15(22-18)7-8-16-17(14-5-3-2-4-6-14)23-19-24(16)11-12-26-19/h2-12H,1H3,(H,20,21,22,25)/b8-7+
InChIKeyVZDFUZNYSXFDFV-BQYQJAHWSA-N
MW361.43 g/mol
LogP3.98
Rot. Bonds4

About N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide

N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide (PubChem CID 44586769) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
PubChem CID44586769
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C19H15N5OS/c1-13(25)21-18-20-10-9-15(22-18)7-8-16-17(14-5-3-2-4-6-14)23-19-24(16)11-12-26-19/h2-12H,1H3,(H,20,21,22,25)/b8-7+
InChIKeyVZDFUZNYSXFDFV-BQYQJAHWSA-N
XLogP3.98
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide (CID 44586769) is N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1.
What is the InChIKey of N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide?
The InChIKey is VZDFUZNYSXFDFV-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-13(25)21-18-20-10-9-15(22-18)7-8-16-17(14-5-3-2-4-6-14)23-19-24(16)11-12-26-19/h2-12H,1H3,(H,20,21,22,25)/b8-7+.
What are the key properties of N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide?
N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 44586769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).