1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea

C20H24N4OS — CID 71654679

IUPAC1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea
SMILESCCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1
InChIInChI=1S/C20H24N4OS/c1-4-14-7-5-6-8-16(14)15-9-10-17-18(13-15)26-20(22-17)23-19(25)21-11-12-24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,25)
InChIKeyHZTRFYKKMCHMIG-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.21
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea

1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea (PubChem CID 71654679) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea
PubChem CID71654679
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea
SMILESCCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1
InChIInChI=1S/C20H24N4OS/c1-4-14-7-5-6-8-16(14)15-9-10-17-18(13-15)26-20(22-17)23-19(25)21-11-12-24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,25)
InChIKeyHZTRFYKKMCHMIG-UHFFFAOYSA-N
XLogP4.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea (CID 71654679) is 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea is CCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea?
The InChIKey is HZTRFYKKMCHMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-4-14-7-5-6-8-16(14)15-9-10-17-18(13-15)26-20(22-17)23-19(25)21-11-12-24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea?
1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea has a molecular weight of 368.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 71654679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).