methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate

C12H16N2O2S — CID 143524058

IUPACmethyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate
SMILESCNC1=C(C(=O)OC)CCC(c2nccs2)C1
InChIInChI=1S/C12H16N2O2S/c1-13-10-7-8(11-14-5-6-17-11)3-4-9(10)12(15)16-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyXCIJMEAUFACDIU-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate

methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate (PubChem CID 143524058) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate
PubChem CID143524058
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Namemethyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate
SMILESCNC1=C(C(=O)OC)CCC(c2nccs2)C1
InChIInChI=1S/C12H16N2O2S/c1-13-10-7-8(11-14-5-6-17-11)3-4-9(10)12(15)16-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyXCIJMEAUFACDIU-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate with MolForge

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Related Compounds

ethane;formaldehyde;methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate;6-propyl-7H-benzo[7]annulen-2-ol
CID 143524057
methyl (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate;hydrochloride
CID 169198353
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
ethyl 2-methyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 123485807
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66285751
8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
CID 150389360
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate?
The IUPAC name of methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate (CID 143524058) is methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate?
The canonical SMILES for methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate is CNC1=C(C(=O)OC)CCC(c2nccs2)C1.
What is the InChIKey of methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate?
The InChIKey is XCIJMEAUFACDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-13-10-7-8(11-14-5-6-17-11)3-4-9(10)12(15)16-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate?
methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate has a molecular weight of 252.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-(1,3-thiazol-2-yl)cyclohexene-1-carboxylate is sourced from PubChem (CID 143524058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).