1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea

C16H15FN4O2S — CID 141332433

IUPAC1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cccc(-c3nccc(OC)c3F)c2s1
InChIInChI=1S/C16H15FN4O2S/c1-3-18-15(22)21-16-20-10-6-4-5-9(14(10)24-16)13-12(17)11(23-2)7-8-19-13/h4-8H,3H2,1-2H3,(H2,18,20,21,22)
InChIKeyUZFZWLQVRXWDKM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.65
Rot. Bonds4

About 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea

1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea (PubChem CID 141332433) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea
PubChem CID141332433
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cccc(-c3nccc(OC)c3F)c2s1
InChIInChI=1S/C16H15FN4O2S/c1-3-18-15(22)21-16-20-10-6-4-5-9(14(10)24-16)13-12(17)11(23-2)7-8-19-13/h4-8H,3H2,1-2H3,(H2,18,20,21,22)
InChIKeyUZFZWLQVRXWDKM-UHFFFAOYSA-N
XLogP3.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(ethylcarbamoylamino)-7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 87222595
1-ethyl-3-[7-[(E)-methoxyiminomethyl]-1,3-benzothiazol-2-yl]urea
CID 141332397
1-ethyl-3-[7-[1-(trimethylsilylmethyl)triazol-4-yl]-1,3-benzothiazol-2-yl]urea
CID 141332406
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
1-[6-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71746161
1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 87276227
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
1-(5-bromo-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 86654970
1-ethyl-3-(7-hydroxy-1,3-benzothiazol-2-yl)urea;1-ethyl-3-(7-hydroxy-6-nitro-1,3-benzothiazol-2-yl)urea
CID 159844200
CID 87301041
CID 87301041
lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride
CID 173051667
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea (CID 141332433) is 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea is CCNC(=O)Nc1nc2cccc(-c3nccc(OC)c3F)c2s1.
What is the InChIKey of 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea?
The InChIKey is UZFZWLQVRXWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-3-18-15(22)21-16-20-10-6-4-5-9(14(10)24-16)13-12(17)11(23-2)7-8-19-13/h4-8H,3H2,1-2H3,(H2,18,20,21,22).
What are the key properties of 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea?
1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea has a molecular weight of 346.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-(3-fluoro-4-methoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 141332433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).