1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

C13H11ClN4OS — CID 2999620

IUPAC1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESO=C(NCc1cn2ccsc2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4OS/c14-9-1-3-10(4-2-9)16-12(19)15-7-11-8-18-5-6-20-13(18)17-11/h1-6,8H,7H2,(H2,15,16,19)
InChIKeyZOQZJUQUUBPPFF-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (PubChem CID 2999620) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
PubChem CID2999620
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESO=C(NCc1cn2ccsc2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4OS/c14-9-1-3-10(4-2-9)16-12(19)15-7-11-8-18-5-6-20-13(18)17-11/h1-6,8H,7H2,(H2,15,16,19)
InChIKeyZOQZJUQUUBPPFF-UHFFFAOYSA-N
XLogP3.37
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
CID 142505357
(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 2348921
1-(3-Chlorophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea
CID 155511708
1-[[3-[2-(5-Chlorothiophen-2-yl)ethynyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-(4-cyanophenyl)urea
CID 155520102
1-(3-Chlorophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
CID 155526712
N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine
CID 2746018
N-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfamoyl)phenyl]acetamide
CID 3245932
4-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzenesulfonamide
CID 7150828
(E)-N-(2-aminophenyl)-3-imidazo[2,1-b][1,3]thiazol-2-ylprop-2-enamide
CID 60198417
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide
CID 2348707
1-(3-Chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 2997559

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (CID 2999620) is 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is O=C(NCc1cn2ccsc2n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The InChIKey is ZOQZJUQUUBPPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-9-1-3-10(4-2-9)16-12(19)15-7-11-8-18-5-6-20-13(18)17-11/h1-6,8H,7H2,(H2,15,16,19).
What are the key properties of 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea has a molecular weight of 306.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is sourced from PubChem (CID 2999620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).