1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

C15H17N3O2S — CID 741732

IUPAC1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H17N3O2S/c1-20-11-8-6-10(7-9-11)16-14(19)18-15-17-12-4-2-3-5-13(12)21-15/h6-9H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyDZJAAIBZJJPNCS-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.67
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea (PubChem CID 741732) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
PubChem CID741732
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H17N3O2S/c1-20-11-8-6-10(7-9-11)16-14(19)18-15-17-12-4-2-3-5-13(12)21-15/h6-9H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyDZJAAIBZJJPNCS-UHFFFAOYSA-N
XLogP3.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea (CID 741732) is 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea is COc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The InChIKey is DZJAAIBZJJPNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-11-8-6-10(7-9-11)16-14(19)18-15-17-12-4-2-3-5-13(12)21-15/h6-9H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea has a molecular weight of 303.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 741732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).