1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea

C15H19N3OS — CID 898347

IUPAC1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
SMILESCc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-10-7-8-12-13(9-10)20-15(17-12)18-14(19)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyBLYGKDSUYGPMJN-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.06
Rot. Bonds2

About 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea

1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea (PubChem CID 898347) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
PubChem CID898347
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
SMILESCc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-10-7-8-12-13(9-10)20-15(17-12)18-14(19)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyBLYGKDSUYGPMJN-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43996982
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
cis-(1S,2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6949082
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
methyl 2-(cyclohexylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate
CID 126194394
1-cyclopropyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea
CID 23549225

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea (CID 898347) is 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea is Cc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1.
What is the InChIKey of 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is BLYGKDSUYGPMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-7-8-12-13(9-10)20-15(17-12)18-14(19)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea?
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 289.40 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 898347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).