1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea

C16H19N3O2S — CID 72847558

IUPAC1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cscn2)c1)NC1CCC(O)CC1
InChIInChI=1S/C16H19N3O2S/c20-14-6-4-12(5-7-14)18-16(21)19-13-3-1-2-11(8-13)15-9-22-10-17-15/h1-3,8-10,12,14,20H,4-7H2,(H2,18,19,21)
InChIKeyCXTJUCWSXQHXAM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea

1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea (PubChem CID 72847558) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
PubChem CID72847558
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cscn2)c1)NC1CCC(O)CC1
InChIInChI=1S/C16H19N3O2S/c20-14-6-4-12(5-7-14)18-16(21)19-13-3-1-2-11(8-13)15-9-22-10-17-15/h1-3,8-10,12,14,20H,4-7H2,(H2,18,19,21)
InChIKeyCXTJUCWSXQHXAM-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-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437563
1-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437562
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42528190
N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 74545212
(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97285803
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
CID 167893023
1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 111578713
1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42517113
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea (CID 72847558) is 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1cccc(-c2cscn2)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is CXTJUCWSXQHXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-14-6-4-12(5-7-14)18-16(21)19-13-3-1-2-11(8-13)15-9-22-10-17-15/h1-3,8-10,12,14,20H,4-7H2,(H2,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]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-(1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 72847558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).