4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole

C21H19N5S — CID 50970691

IUPAC4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(-c2ncn(CCc3csc(-c4ncccn4)n3)c2C2CC2)cc1
InChIInChI=1S/C21H19N5S/c1-2-5-15(6-3-1)18-19(16-7-8-16)26(14-24-18)12-9-17-13-27-21(25-17)20-22-10-4-11-23-20/h1-6,10-11,13-14,16H,7-9,12H2
InChIKeyBIQFNTUGWRWWMV-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.58
Rot. Bonds6

About 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 50970691) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID50970691
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC Name4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(-c2ncn(CCc3csc(-c4ncccn4)n3)c2C2CC2)cc1
InChIInChI=1S/C21H19N5S/c1-2-5-15(6-3-1)18-19(16-7-8-16)26(14-24-18)12-9-17-13-27-21(25-17)20-22-10-4-11-23-20/h1-6,10-11,13-14,16H,7-9,12H2
InChIKeyBIQFNTUGWRWWMV-UHFFFAOYSA-N
XLogP4.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 91789084
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137256857
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
N-methylsulfanyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 123831691
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
3-[[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]methyl]benzoic acid
CID 97136318
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 50970691) is 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole is c1ccc(-c2ncn(CCc3csc(-c4ncccn4)n3)c2C2CC2)cc1.
What is the InChIKey of 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is BIQFNTUGWRWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-2-5-15(6-3-1)18-19(16-7-8-16)26(14-24-18)12-9-17-13-27-21(25-17)20-22-10-4-11-23-20/h1-6,10-11,13-14,16H,7-9,12H2.
What are the key properties of 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 373.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 50970691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).