1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea

C16H19N3O2S — CID 111578713

IUPAC1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)ns1)NC1CCC(O)CC1
InChIInChI=1S/C16H19N3O2S/c20-13-8-6-12(7-9-13)17-16(21)18-15-10-14(19-22-15)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H2,17,18,21)
InChIKeyJJGDLNRROXBIHC-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea

1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea (PubChem CID 111578713) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
PubChem CID111578713
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)ns1)NC1CCC(O)CC1
InChIInChI=1S/C16H19N3O2S/c20-13-8-6-12(7-9-13)17-16(21)18-15-10-14(19-22-15)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H2,17,18,21)
InChIKeyJJGDLNRROXBIHC-UHFFFAOYSA-N
XLogP3.24
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99813531
1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 110890971
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(4-hydroxycyclohexyl)-2-phenylbenzamide
CID 39903813
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076895
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
N-(3-phenyl-1,2-thiazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84594886
2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide
CID 56792578
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea (CID 111578713) is 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea is O=C(Nc1cc(-c2ccccc2)ns1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The InChIKey is JJGDLNRROXBIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-13-8-6-12(7-9-13)17-16(21)18-15-10-14(19-22-15)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H2,17,18,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea?
1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea has a molecular weight of 317.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 111578713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).