1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C14H23N3O2S — CID 111631178

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NC2CCCCC2CO)s1
InChIInChI=1S/C14H23N3O2S/c1-10-8-16-13(20-10)6-7-15-14(19)17-12-5-3-2-4-11(12)9-18/h8,11-12,18H,2-7,9H2,1H3,(H2,15,17,19)
InChIKeyRHHXXKVQFSTSKK-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111631178) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111631178
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NC2CCCCC2CO)s1
InChIInChI=1S/C14H23N3O2S/c1-10-8-16-13(20-10)6-7-15-14(19)17-12-5-3-2-4-11(12)9-18/h8,11-12,18H,2-7,9H2,1H3,(H2,15,17,19)
InChIKeyRHHXXKVQFSTSKK-UHFFFAOYSA-N
XLogP1.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518600
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340824
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024755
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507774
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 97008021
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421
1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867996
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 166350644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111631178) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NC2CCCCC2CO)s1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is RHHXXKVQFSTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-8-16-13(20-10)6-7-15-14(19)17-12-5-3-2-4-11(12)9-18/h8,11-12,18H,2-7,9H2,1H3,(H2,15,17,19).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 297.42 g/mol, XLogP of 1.84, 5 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-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111631178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).