N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

C15H22N2O2S — CID 110374794

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)NCCC2=CCCCC2)s1
InChIInChI=1S/C15H22N2O2S/c1-11-14(20-13(17-11)10-19-2)15(18)16-9-8-12-6-4-3-5-7-12/h6H,3-5,7-10H2,1-2H3,(H,16,18)
InChIKeyKWMCOXZQTUFTFP-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110374794) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110374794
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)NCCC2=CCCCC2)s1
InChIInChI=1S/C15H22N2O2S/c1-11-14(20-13(17-11)10-19-2)15(18)16-9-8-12-6-4-3-5-7-12/h6H,3-5,7-10H2,1-2H3,(H,16,18)
InChIKeyKWMCOXZQTUFTFP-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 106175161
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23772096
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897441
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34742403
1-[2-(cyclohexen-1-yl)ethyl]-3-(5-methoxypentyl)urea
CID 122160040
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 110374794) is N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCc1nc(C)c(C(=O)NCCC2=CCCCC2)s1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KWMCOXZQTUFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-14(20-13(17-11)10-19-2)15(18)16-9-8-12-6-4-3-5-7-12/h6H,3-5,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110374794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).