1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C15H25N3O2S — CID 94028897

IUPAC1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1
InChIInChI=1S/C15H25N3O2S/c1-11-5-3-4-6-13(11)20-8-7-16-15(19)17-9-14-18-12(2)10-21-14/h10-11,13H,3-9H2,1-2H3,(H2,16,17,19)/t11-,13+/m0/s1
InChIKeyDSAXMDAMSCISDY-WCQYABFASA-N
MW311.45 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 94028897) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID94028897
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1
InChIInChI=1S/C15H25N3O2S/c1-11-5-3-4-6-13(11)20-8-7-16-15(19)17-9-14-18-12(2)10-21-14/h10-11,13H,3-9H2,1-2H3,(H2,16,17,19)/t11-,13+/m0/s1
InChIKeyDSAXMDAMSCISDY-WCQYABFASA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94028900
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781475
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 99846608
1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 97352901
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032039
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55724268
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 51946372
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
CID 112828680

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 94028897) is 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1.
What is the InChIKey of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is DSAXMDAMSCISDY-WCQYABFASA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-5-3-4-6-13(11)20-8-7-16-15(19)17-9-14-18-12(2)10-21-14/h10-11,13H,3-9H2,1-2H3,(H2,16,17,19)/t11-,13+/m0/s1.
What are the key properties of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 311.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 94028897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).