[(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate

C14H19NO3S — CID 95086991

IUPAC[(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCOCc1nc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)cs1
InChIInChI=1S/C14H19NO3S/c1-10-5-3-4-6-11(10)7-18-14(16)12-9-19-13(15-12)8-17-2/h3-4,9-11H,5-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyZJUGVEITKLLLQC-QWRGUYRKSA-N
MW281.38 g/mol
LogP3.05
Rot. Bonds5

About [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate

[(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate (PubChem CID 95086991) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
PubChem CID95086991
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCOCc1nc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)cs1
InChIInChI=1S/C14H19NO3S/c1-10-5-3-4-6-11(10)7-18-14(16)12-9-19-13(15-12)8-17-2/h3-4,9-11H,5-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyZJUGVEITKLLLQC-QWRGUYRKSA-N
XLogP3.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,6R)-6-methylcyclohex-3-en-1-yl]methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 94221380
2,2-dimethylbutyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
CID 71987431
4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229809
ethyl 2-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 67269937
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 120745179
methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 104562946
3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 103403335
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120749551
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate (CID 95086991) is [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate is COCc1nc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)cs1.
What is the InChIKey of [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZJUGVEITKLLLQC-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-5-3-4-6-11(10)7-18-14(16)12-9-19-13(15-12)8-17-2/h3-4,9-11H,5-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
[(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-methylcyclohex-3-en-1-yl]methyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 95086991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).