1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea

C18H23N5O2S — CID 122558681

IUPAC1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
SMILESCCN(CCOc1cccc(C)c1)C(=O)NC(C)c1cn2ncsc2n1
InChIInChI=1S/C18H23N5O2S/c1-4-22(8-9-25-15-7-5-6-13(2)10-15)17(24)20-14(3)16-11-23-18(21-16)26-12-19-23/h5-7,10-12,14H,4,8-9H2,1-3H3,(H,20,24)
InChIKeyOCLQXAVOGGBQGV-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.27
Rot. Bonds7

About 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea

1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 122558681) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
PubChem CID122558681
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
SMILESCCN(CCOc1cccc(C)c1)C(=O)NC(C)c1cn2ncsc2n1
InChIInChI=1S/C18H23N5O2S/c1-4-22(8-9-25-15-7-5-6-13(2)10-15)17(24)20-14(3)16-11-23-18(21-16)26-12-19-23/h5-7,10-12,14H,4,8-9H2,1-3H3,(H,20,24)
InChIKeyOCLQXAVOGGBQGV-UHFFFAOYSA-N
XLogP3.27
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-1-[2-(3-methylphenoxy)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 126440605
2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
CID 119062039
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
CID 74230786
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
CID 131894443
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
1-(3-methoxypropyl)-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009675
1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 93165992
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
N-[2-(3-methylphenoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55012483

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea (CID 122558681) is 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea is CCN(CCOc1cccc(C)c1)C(=O)NC(C)c1cn2ncsc2n1.
What is the InChIKey of 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is OCLQXAVOGGBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-4-22(8-9-25-15-7-5-6-13(2)10-15)17(24)20-14(3)16-11-23-18(21-16)26-12-19-23/h5-7,10-12,14H,4,8-9H2,1-3H3,(H,20,24).
What are the key properties of 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea?
1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea has a molecular weight of 373.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 122558681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).