1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea

C22H26N4O2S — CID 71654755

IUPAC1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCCc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
InChIInChI=1S/C22H26N4O2S/c1-2-16-5-3-4-6-18(16)17-7-8-19-20(15-17)29-22(24-19)25-21(27)23-9-10-26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3,(H2,23,24,25,27)
InChIKeyONIXTHIEXURSCP-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.98
Rot. Bonds6

About 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea

1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 71654755) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID71654755
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCCc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
InChIInChI=1S/C22H26N4O2S/c1-2-16-5-3-4-6-18(16)17-7-8-19-20(15-17)29-22(24-19)25-21(27)23-9-10-26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3,(H2,23,24,25,27)
InChIKeyONIXTHIEXURSCP-UHFFFAOYSA-N
XLogP3.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N-((S)-1-Cyclohexyl-2-(3-morpholinopropanamido)ethyl)-3-(6-isopropylbenzo[d]thiazol-2-yl)-2-propionamidopropanamide
CID 131750123
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
N-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 49838747
1-[2-(Dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea
CID 71654679
1-Ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655669
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655731
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7538937
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7538944
3-(6-Chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955172
3-(4-Chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955189
3-(1,3-Benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955191

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea (CID 71654755) is 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea is CCc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1.
What is the InChIKey of 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is ONIXTHIEXURSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-16-5-3-4-6-18(16)17-7-8-19-20(15-17)29-22(24-19)25-21(27)23-9-10-26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3,(H2,23,24,25,27).
What are the key properties of 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea?
1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 410.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 71654755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).