1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea

C27H30FN5O2S — CID 3576808

IUPAC1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCc1ccccc1NC(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1
InChIInChI=1S/C27H30FN5O2S/c1-20-4-2-3-5-24(20)29-26(34)32(13-12-31-14-16-35-17-15-31)11-10-23-19-36-27-30-25(18-33(23)27)21-6-8-22(28)9-7-21/h2-9,18-19H,10-17H2,1H3,(H,29,34)
InChIKeyBKYSSOVLLORQDV-UHFFFAOYSA-N
MW507.64 g/mol
LogP4.92
Rot. Bonds8

About 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea

1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 3576808) has the molecular formula C27H30FN5O2S and a molecular weight of 507.64 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID3576808
Molecular FormulaC27H30FN5O2S
Molecular Weight507.64 g/mol
Exact Mass507.21
IUPAC Name1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCc1ccccc1NC(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1
InChIInChI=1S/C27H30FN5O2S/c1-20-4-2-3-5-24(20)29-26(34)32(13-12-31-14-16-35-17-15-31)11-10-23-19-36-27-30-25(18-33(23)27)21-6-8-22(28)9-7-21/h2-9,18-19H,10-17H2,1H3,(H,29,34)
InChIKeyBKYSSOVLLORQDV-UHFFFAOYSA-N
XLogP4.92
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Srt-2104
CID 25108829
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
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
1-(3-(5-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-3-phenylurea
CID 46886317
N-(3-(5-(2-(3-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide
CID 46886323
US9670204, 36 ethyl2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)acetate
CID 90420332
US9670204, 32 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-1-morpholinoethanone
CID 90421066
N-(2-ethyl-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 117628557
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 647688
6-(4-fluorophenyl)-3-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3237288
6-(4-fluorophenyl)-3-methyl-N-(3-morpholinopropyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 3237977

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea (CID 3576808) is 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea is Cc1ccccc1NC(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1.
What is the InChIKey of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is BKYSSOVLLORQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2S/c1-20-4-2-3-5-24(20)29-26(34)32(13-12-31-14-16-35-17-15-31)11-10-23-19-36-27-30-25(18-33(23)27)21-6-8-22(28)9-7-21/h2-9,18-19H,10-17H2,1H3,(H,29,34).
What are the key properties of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 507.64 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 3576808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).