2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate

C13H20N2O2S — CID 23797383

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
SMILESCc1ncsc1CCOC(=O)NC1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)7-8-17-13(16)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,15,16)
InChIKeyPGEPCUSXOHAYSR-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate

2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate (PubChem CID 23797383) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
PubChem CID23797383
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
SMILESCc1ncsc1CCOC(=O)NC1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)7-8-17-13(16)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,15,16)
InChIKeyPGEPCUSXOHAYSR-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
CID 114451058
4-(4-methylphenyl)butyl N-cyclohexylcarbamate
CID 90359705
2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 97223987
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
CID 65444170
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
2-bromoethyl N-cyclohexylcarbamate
CID 112683003

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate (CID 23797383) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate is Cc1ncsc1CCOC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate?
The InChIKey is PGEPCUSXOHAYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)7-8-17-13(16)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate has a molecular weight of 268.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate is sourced from PubChem (CID 23797383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).