1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C14H23N3O2S — CID 111630900

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(C)NC(=O)NC2CCCCC2CO)n1
InChIInChI=1S/C14H23N3O2S/c1-9-8-20-13(15-9)10(2)16-14(19)17-12-6-4-3-5-11(12)7-18/h8,10-12,18H,3-7H2,1-2H3,(H2,16,17,19)
InChIKeyLJKLWWDWJFSRCA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111630900) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111630900
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(C)NC(=O)NC2CCCCC2CO)n1
InChIInChI=1S/C14H23N3O2S/c1-9-8-20-13(15-9)10(2)16-14(19)17-12-6-4-3-5-11(12)7-18/h8,10-12,18H,3-7H2,1-2H3,(H2,16,17,19)
InChIKeyLJKLWWDWJFSRCA-UHFFFAOYSA-N
XLogP2.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111631153
1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 82764933
1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871885
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428219
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 111636920
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 71980784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111630900) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(C(C)NC(=O)NC2CCCCC2CO)n1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is LJKLWWDWJFSRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-8-20-13(15-9)10(2)16-14(19)17-12-6-4-3-5-11(12)7-18/h8,10-12,18H,3-7H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111630900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).