1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea

C19H22N4O2S — CID 87276227

IUPAC1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
SMILESCCCCOc1cc(-c2ccccn2)c2sc(NC(=O)NCC)nc2c1
InChIInChI=1S/C19H22N4O2S/c1-3-5-10-25-13-11-14(15-8-6-7-9-21-15)17-16(12-13)22-19(26-17)23-18(24)20-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H2,20,22,23,24)
InChIKeyAZVIHYLXJIQXHR-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.68
Rot. Bonds7

About 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea

1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea (PubChem CID 87276227) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
PubChem CID87276227
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
SMILESCCCCOc1cc(-c2ccccn2)c2sc(NC(=O)NCC)nc2c1
InChIInChI=1S/C19H22N4O2S/c1-3-5-10-25-13-11-14(15-8-6-7-9-21-15)17-16(12-13)22-19(26-17)23-18(24)20-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H2,20,22,23,24)
InChIKeyAZVIHYLXJIQXHR-UHFFFAOYSA-N
XLogP4.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 71765644
1-ethyl-3-[5-[2-(methanesulfonamido)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 118280483
N'-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazole-5-carbothioyl]carbamimidoyl chloride
CID 123377085
1-ethyl-3-[5-[(2E,4Z)-6-methylideneocta-2,4-dien-3-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 144895438
ethyl 2-[[5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]amino]-2-methylpropanoate
CID 141463276
1-(5-bromo-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 86654970
1-[5-[5-[2-(dimethylamino)ethylimino]cyclohepta-1,3,6-trien-1-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-ethylurea
CID 123534708
lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride
CID 173051667
methyl 1-[5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
CID 87223839
1-[5-(5-bromo-1-azoniabicyclo[5.1.0]octa-1,3,5-trien-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-ethylurea
CID 123802463
1-[5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-hydroxypiperidine-4-carboxylic acid
CID 72722664
ethyl 3-[5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazol-5-yl]-2-pyridinyl]-5-methyl-2H-1,2-oxazole-5-carboxylate
CID 123439465

Frequently Asked Questions

What is the IUPAC name of 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea?
The IUPAC name of 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea (CID 87276227) is 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea?
The canonical SMILES for 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea is CCCCOc1cc(-c2ccccn2)c2sc(NC(=O)NCC)nc2c1.
What is the InChIKey of 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea?
The InChIKey is AZVIHYLXJIQXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-5-10-25-13-11-14(15-8-6-7-9-21-15)17-16(12-13)22-19(26-17)23-18(24)20-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea?
1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea has a molecular weight of 370.48 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea is sourced from PubChem (CID 87276227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).