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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Related Compounds

N-[3-(5-{2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}imidazo[2,1-B][1,3]thiazol-6-Yl)phenyl]-2-Phenylacetamide
CID 46886319
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
N-(3-(5-(2-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46886321
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 2813255
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303

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).