N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide

C13H20N2O2S — CID 65124143

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2cscn2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-10-3-5-13(17,6-4-10)8-14-12(16)11-7-18-9-15-11/h7,9-10,17H,2-6,8H2,1H3,(H,14,16)
InChIKeyZOEZEDVMVVKHNQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 65124143) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID65124143
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2cscn2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-10-3-5-13(17,6-4-10)8-14-12(16)11-7-18-9-15-11/h7,9-10,17H,2-6,8H2,1H3,(H,14,16)
InChIKeyZOEZEDVMVVKHNQ-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65120198
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 107271732
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 114758265
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722817
4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358827
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide (CID 65124143) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide is CCC1CCC(O)(CNC(=O)c2cscn2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZOEZEDVMVVKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-10-3-5-13(17,6-4-10)8-14-12(16)11-7-18-9-15-11/h7,9-10,17H,2-6,8H2,1H3,(H,14,16).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65124143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).