1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea

C14H14N4O2S2 — CID 42633662

IUPAC1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cnc(OC)s3)ccc2s1
InChIInChI=1S/C14H14N4O2S2/c1-3-15-12(19)18-13-17-9-6-8(4-5-10(9)21-13)11-7-16-14(20-2)22-11/h4-7H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyWDNOXIWYTZTYIJ-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.57
Rot. Bonds4

About 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea

1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea (PubChem CID 42633662) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea
PubChem CID42633662
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cnc(OC)s3)ccc2s1
InChIInChI=1S/C14H14N4O2S2/c1-3-15-12(19)18-13-17-9-6-8(4-5-10(9)21-13)11-7-16-14(20-2)22-11/h4-7H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyWDNOXIWYTZTYIJ-UHFFFAOYSA-N
XLogP3.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-1,3-benzothiazol-2-yl)-3-ethylurea;ethane;1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-(2-oxo-3H-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea;molecular iodine;triiodide;hydroiodide
CID 161086091
1-[6-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71746161
[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl] trifluoromethanesulfonate
CID 59603077
1-ethyl-3-[5-(2-imidazol-1-ylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]urea
CID 42633840
1-ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
ethyl 2-[5-[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl]-2-oxo-1-pyridinyl]acetate
CID 87553673
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-[6-[6-(ethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 89172913
1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea
CID 59603073
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
CID 89172846
CID 89172846
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)urea
CID 110676070

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea (CID 42633662) is 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cnc(OC)s3)ccc2s1.
What is the InChIKey of 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea?
The InChIKey is WDNOXIWYTZTYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-3-15-12(19)18-13-17-9-6-8(4-5-10(9)21-13)11-7-16-14(20-2)22-11/h4-7H,3H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea?
1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea has a molecular weight of 334.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 42633662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).