1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea

C14H18N4OS — CID 162383157

IUPAC1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea
SMILESNc1nc2ccc(NC(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C14H18N4OS/c15-13-18-11-7-6-10(8-12(11)20-13)17-14(19)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,18)(H2,16,17,19)
InChIKeyMMEQZNIKFFHKRF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.33
Rot. Bonds2

About 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea

1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea (PubChem CID 162383157) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea
PubChem CID162383157
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea
SMILESNc1nc2ccc(NC(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C14H18N4OS/c15-13-18-11-7-6-10(8-12(11)20-13)17-14(19)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,18)(H2,16,17,19)
InChIKeyMMEQZNIKFFHKRF-UHFFFAOYSA-N
XLogP3.33
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Methabenzthiazuron
CID 29216
2,6-Benzothiazolediamine
CID 21504
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
Bentaluron
CID 4408229
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
N-2-Benzothiazolyl-N'-butylurea
CID 99178

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea?
The IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea (CID 162383157) is 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea is Nc1nc2ccc(NC(=O)NC3CCCCC3)cc2s1.
What is the InChIKey of 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea?
The InChIKey is MMEQZNIKFFHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-13-18-11-7-6-10(8-12(11)20-13)17-14(19)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,18)(H2,16,17,19).
What are the key properties of 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea?
1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea has a molecular weight of 290.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-benzothiazol-6-yl)-3-cyclohexylurea is sourced from PubChem (CID 162383157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).