1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea

C18H16N4OS2 — CID 121080529

IUPAC1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1
InChIInChI=1S/C18H16N4OS2/c1-9-6-10(2)8-12(7-9)20-17(23)22-18-21-13-4-5-14-15(16(13)25-18)19-11(3)24-14/h4-8H,1-3H3,(H2,20,21,22,23)
InChIKeyFAPRNEVFVRUTMY-UHFFFAOYSA-N
MW368.49 g/mol
LogP5.48
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea

1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea (PubChem CID 121080529) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
PubChem CID121080529
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1
InChIInChI=1S/C18H16N4OS2/c1-9-6-10(2)8-12(7-9)20-17(23)22-18-21-13-4-5-14-15(16(13)25-18)19-11(3)24-14/h4-8H,1-3H3,(H2,20,21,22,23)
InChIKeyFAPRNEVFVRUTMY-UHFFFAOYSA-N
XLogP5.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080705
1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 71549283
4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 3426312
1-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080536
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 121082936
1-(3,5-dimethylphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081214
1-(3,5-dimethylphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081034
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
CID 8719702
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 4110990
N-(3-bromophenyl)-7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2-carboxamide
CID 86263639

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea (CID 121080529) is 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea is Cc1cc(C)cc(NC(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?
The InChIKey is FAPRNEVFVRUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-9-6-10(2)8-12(7-9)20-17(23)22-18-21-13-4-5-14-15(16(13)25-18)19-11(3)24-14/h4-8H,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?
1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea has a molecular weight of 368.49 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea is sourced from PubChem (CID 121080529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).