1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea

C15H19N3O2S — CID 110912916

IUPAC1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1(O)CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H19N3O2S/c19-13(16-10-15(20)8-4-1-5-9-15)18-14-17-11-6-2-3-7-12(11)21-14/h2-3,6-7,20H,1,4-5,8-10H2,(H2,16,17,18,19)
InChIKeyJNHJTZINLVPVBL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.11
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea

1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 110912916) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID110912916
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1(O)CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H19N3O2S/c19-13(16-10-15(20)8-4-1-5-9-15)18-14-17-11-6-2-3-7-12(11)21-14/h2-3,6-7,20H,1,4-5,8-10H2,(H2,16,17,18,19)
InChIKeyJNHJTZINLVPVBL-UHFFFAOYSA-N
XLogP3.11
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983
1-(1,3-benzothiazol-2-yl)-3-[(2-chlorophenyl)methyl]urea
CID 41328118
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
2-[[2-(1,3-benzothiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61184328
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea (CID 110912916) is 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea is O=C(NCC1(O)CCCCC1)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is JNHJTZINLVPVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-13(16-10-15(20)8-4-1-5-9-15)18-14-17-11-6-2-3-7-12(11)21-14/h2-3,6-7,20H,1,4-5,8-10H2,(H2,16,17,18,19).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea?
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 110912916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).