1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea

C23H21N5O2S — CID 24890060

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3ccccc34)cc2)no1
InChIInChI=1S/C23H21N5O2S/c1-23(2,3)19-12-20(27-30-19)26-21(29)24-15-10-8-14(9-11-15)16-13-28-17-6-4-5-7-18(17)31-22(28)25-16/h4-13H,1-3H3,(H2,24,26,27,29)
InChIKeyIWPSRKCWTYJWAS-UHFFFAOYSA-N
MW431.52 g/mol
LogP6.15
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea (PubChem CID 24890060) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea
PubChem CID24890060
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3ccccc34)cc2)no1
InChIInChI=1S/C23H21N5O2S/c1-23(2,3)19-12-20(27-30-19)26-21(29)24-15-10-8-14(9-11-15)16-13-28-17-6-4-5-7-18(17)31-22(28)25-16/h4-13H,1-3H3,(H2,24,26,27,29)
InChIKeyIWPSRKCWTYJWAS-UHFFFAOYSA-N
XLogP6.15
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 24889392
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1-(5-Tert-butyl-isoxazol-3-yl)-3-{4-[7-(4-methyl-piperazin-1-yl)-benzo[d]imidazo[2,1-b]thiazol-2-yl]-phenyl}-urea
CID 24889213
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-piperidin-1-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 24889215
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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CID 24889390
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CID 24889391
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CID 24889894
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AC220;Quizartinib
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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea (CID 24890060) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3ccccc34)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea?
The InChIKey is IWPSRKCWTYJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-23(2,3)19-12-20(27-30-19)26-21(29)24-15-10-8-14(9-11-15)16-13-28-17-6-4-5-7-18(17)31-22(28)25-16/h4-13H,1-3H3,(H2,24,26,27,29).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea has a molecular weight of 431.52 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)urea is sourced from PubChem (CID 24890060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).