4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole

C17H16N6S — CID 53251312

IUPAC4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cscn4)cn3C)nc2n1
InChIInChI=1S/C17H16N6S/c1-11-6-12(2)23-7-13(20-17(23)19-11)4-5-16-21-14(8-22(16)3)15-9-24-10-18-15/h4-10H,1-3H3/b5-4+
InChIKeyQNJUUFRANGRCSC-SNAWJCMRSA-N
MW336.42 g/mol
LogP3.37
Rot. Bonds3

About 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole

4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 53251312) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID53251312
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cscn4)cn3C)nc2n1
InChIInChI=1S/C17H16N6S/c1-11-6-12(2)23-7-13(20-17(23)19-11)4-5-16-21-14(8-22(16)3)15-9-24-10-18-15/h4-10H,1-3H3/b5-4+
InChIKeyQNJUUFRANGRCSC-SNAWJCMRSA-N
XLogP3.37
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
N-(2-aminoethyl)-12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093427
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020
N,N-dimethyl-N'-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]-1,4-benzenediamine hydrobromide
CID 1117217
8,10-Dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73425857
2-N,2-N-dimethyl-5-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
CID 76318001
4-N-butyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334964
2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
N-allyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901928
N-[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 629409
N,N-diethyl-N'-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-1,4-benzenediamine
CID 1070451
N1-(4-(2-Methylimidazo[1,2-a]pyridin-3-yl)
CID 2863114

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 53251312) is 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cc1cc(C)n2cc(/C=C/c3nc(-c4cscn4)cn3C)nc2n1.
What is the InChIKey of 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is QNJUUFRANGRCSC-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H16N6S/c1-11-6-12(2)23-7-13(20-17(23)19-11)4-5-16-21-14(8-22(16)3)15-9-24-10-18-15/h4-10H,1-3H3/b5-4+.
What are the key properties of 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 336.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53251312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).