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

C16H19N3O2S — CID 110890971

IUPAC1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ncc(-c2ccccc2)s1)NC1CCC(O)CC1
InChIInChI=1S/C16H19N3O2S/c20-13-8-6-12(7-9-13)18-15(21)19-16-17-10-14(22-16)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H2,17,18,19,21)
InChIKeyKQINILFXLWTPQE-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.24
Rot. Bonds3

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

1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 110890971) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID110890971
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ncc(-c2ccccc2)s1)NC1CCC(O)CC1
InChIInChI=1S/C16H19N3O2S/c20-13-8-6-12(7-9-13)18-15(21)19-16-17-10-14(22-16)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H2,17,18,19,21)
InChIKeyKQINILFXLWTPQE-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

N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide
CID 78892954
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 111578713
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 119287690
1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 87823763
4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86855015
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 22559487
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 110890971) is 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1ncc(-c2ccccc2)s1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is KQINILFXLWTPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-13-8-6-12(7-9-13)18-15(21)19-16-17-10-14(22-16)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H2,17,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-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-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 110890971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).