1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea

C13H10N4OS — CID 110491805

IUPAC1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10N4OS/c18-12(16-11-7-3-4-8-14-11)17-13-15-9-5-1-2-6-10(9)19-13/h1-8H,(H2,14,15,16,17,18)
InChIKeyZNDZRFAGTMMJHJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.34
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea

1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea (PubChem CID 110491805) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
PubChem CID110491805
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10N4OS/c18-12(16-11-7-3-4-8-14-11)17-13-15-9-5-1-2-6-10(9)19-13/h1-8H,(H2,14,15,16,17,18)
InChIKeyZNDZRFAGTMMJHJ-UHFFFAOYSA-N
XLogP3.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
1-(1,3-benzothiazol-2-yl)-3-(trideuteriomethyl)urea
CID 163322182
N'-(1,3-benzothiazol-2-yl)-N-pyridin-2-ylethane-1,2-diamine
CID 37105021
2-(1,3-benzothiazol-2-ylcarbamoylamino)benzoic acid
CID 165368088
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
disodium;1-(1,3-benzothiazol-2-yl)-3-phosphonatourea
CID 44653892
1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 175678594
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
CID 46267438
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea (CID 110491805) is 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
The InChIKey is ZNDZRFAGTMMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c18-12(16-11-7-3-4-8-14-11)17-13-15-9-5-1-2-6-10(9)19-13/h1-8H,(H2,14,15,16,17,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea?
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea has a molecular weight of 270.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 110491805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).