1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea

C11H16N4OS — CID 110661644

IUPAC1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
SMILESCCCNC(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-2-4-12-10(16)13-5-3-9-8-15-6-7-17-11(15)14-9/h6-8H,2-5H2,1H3,(H2,12,13,16)
InChIKeyXYKAMPREZSTQRP-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.65
Rot. Bonds5

About 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea

1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea (PubChem CID 110661644) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
PubChem CID110661644
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
SMILESCCCNC(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-2-4-12-10(16)13-5-3-9-8-15-6-7-17-11(15)14-9/h6-8H,2-5H2,1H3,(H2,12,13,16)
InChIKeyXYKAMPREZSTQRP-UHFFFAOYSA-N
XLogP1.65
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
2-ethoxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150814
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)thiophene-2-carboxamide
CID 5310147
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethyl-N-propylhexan-3-amine
CID 115334731
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
N-[2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-2-oxoethyl]benzamide
CID 110661562
3,4-difluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150810
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-sulfamoylbenzamide
CID 77083416
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 118776725
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
CID 115334754
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
CID 118777156

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea?
The IUPAC name of 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea (CID 110661644) is 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea.
What is the SMILES notation for 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea?
The canonical SMILES for 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea is CCCNC(=O)NCCc1cn2ccsc2n1.
What is the InChIKey of 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea?
The InChIKey is XYKAMPREZSTQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-4-12-10(16)13-5-3-9-8-15-6-7-17-11(15)14-9/h6-8H,2-5H2,1H3,(H2,12,13,16).
What are the key properties of 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea?
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea has a molecular weight of 252.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea is sourced from PubChem (CID 110661644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).