1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea

C18H15FN4OS2 — CID 71795881

IUPAC1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
SMILESCc1c(CNC(=O)Nc2cccs2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H15FN4OS2/c1-11-15(9-20-17(24)22-16-3-2-8-25-16)26-18-21-14(10-23(11)18)12-4-6-13(19)7-5-12/h2-8,10H,9H2,1H3,(H2,20,22,24)
InChIKeyXSVQYUWFOQPPAF-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.89
Rot. Bonds4

About 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea

1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea (PubChem CID 71795881) has the molecular formula C18H15FN4OS2 and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
PubChem CID71795881
Molecular FormulaC18H15FN4OS2
Molecular Weight386.48 g/mol
Exact Mass386.07
IUPAC Name1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
SMILESCc1c(CNC(=O)Nc2cccs2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H15FN4OS2/c1-11-15(9-20-17(24)22-16-3-2-8-25-16)26-18-21-14(10-23(11)18)12-4-6-13(19)7-5-12/h2-8,10H,9H2,1H3,(H2,20,22,24)
InChIKeyXSVQYUWFOQPPAF-UHFFFAOYSA-N
XLogP4.89
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
CID 90547611
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90547614
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91939242
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 90547458
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 90547564
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
CID 90547365
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90547400
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(2-nitrophenyl)acetamide
CID 90547555
(2S)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 97042286
2-(4-chlorophenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
CID 90547335

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea (CID 71795881) is 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea is Cc1c(CNC(=O)Nc2cccs2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea?
The InChIKey is XSVQYUWFOQPPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS2/c1-11-15(9-20-17(24)22-16-3-2-8-25-16)26-18-21-14(10-23(11)18)12-4-6-13(19)7-5-12/h2-8,10H,9H2,1H3,(H2,20,22,24).
What are the key properties of 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea?
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea has a molecular weight of 386.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71795881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).