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

C15H19F3N4O2S — CID 90602655

IUPAC1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)N(CCN(C)C)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C15H19F3N4O2S/c1-4-19-13(23)22(8-7-21(2)3)14-20-11-6-5-10(9-12(11)25-14)24-15(16,17)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,23)
InChIKeyJIZDXIKHDVPSHP-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.29
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea (PubChem CID 90602655) has the molecular formula C15H19F3N4O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
PubChem CID90602655
Molecular FormulaC15H19F3N4O2S
Molecular Weight376.40 g/mol
Exact Mass376.12
IUPAC Name1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)N(CCN(C)C)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C15H19F3N4O2S/c1-4-19-13(23)22(8-7-21(2)3)14-20-11-6-5-10(9-12(11)25-14)24-15(16,17)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,23)
InChIKeyJIZDXIKHDVPSHP-UHFFFAOYSA-N
XLogP3.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(dimethylamino)ethyl-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]benzoate
CID 90602411
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 90602387
3-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 90602642
N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 90602507
N-[2-(dimethylamino)ethyl]-2-phenylsulfanyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602428
N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 90602465
N-[2-(dimethylamino)ethyl]-2-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90602511
(Z)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 90602498
N-[2-(propan-2-ylamino)ethyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 150888389
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718667
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507379
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea (CID 90602655) is 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea is CCNC(=O)N(CCN(C)C)c1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea?
The InChIKey is JIZDXIKHDVPSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2S/c1-4-19-13(23)22(8-7-21(2)3)14-20-11-6-5-10(9-12(11)25-14)24-15(16,17)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea?
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea has a molecular weight of 376.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-ethyl-1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 90602655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).