1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea

C15H18ClN3OS — CID 121080787

IUPAC1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
SMILESCc1c(Cl)ccc2sc(NC(=O)NC3CCCCC3)nc12
InChIInChI=1S/C15H18ClN3OS/c1-9-11(16)7-8-12-13(9)18-15(21-12)19-14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyUGPAYWCYNVZOJJ-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.71
Rot. Bonds2

About 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea

1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea (PubChem CID 121080787) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
PubChem CID121080787
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
SMILESCc1c(Cl)ccc2sc(NC(=O)NC3CCCCC3)nc12
InChIInChI=1S/C15H18ClN3OS/c1-9-11(16)7-8-12-13(9)18-15(21-12)19-14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyUGPAYWCYNVZOJJ-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989097
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
CID 35569941
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192094

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea?
The IUPAC name of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea (CID 121080787) is 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea is Cc1c(Cl)ccc2sc(NC(=O)NC3CCCCC3)nc12.
What is the InChIKey of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea?
The InChIKey is UGPAYWCYNVZOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-9-11(16)7-8-12-13(9)18-15(21-12)19-14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea?
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea has a molecular weight of 323.85 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea is sourced from PubChem (CID 121080787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).