methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

C9H13NO2S — CID 73057555

IUPACmethyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(CC2CC2)=N1
InChIInChI=1S/C9H13NO2S/c1-12-9(11)7-5-13-8(10-7)4-6-2-3-6/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyLYYQMZASDPRHJC-ZETCQYMHSA-N
MW199.27 g/mol
LogP1.47
Rot. Bonds3

About methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 73057555) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID73057555
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Namemethyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(CC2CC2)=N1
InChIInChI=1S/C9H13NO2S/c1-12-9(11)7-5-13-8(10-7)4-6-2-3-6/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyLYYQMZASDPRHJC-ZETCQYMHSA-N
XLogP1.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 71739752
ethyl 2-(aminomethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 12989075
methyl 2-(1-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 105443216
methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
ethane;methyl (4S)-2-benzyl-5,6-dihydro-4H-1,3-thiazine-4-carboxylate
CID 142064966
methyl (4S)-2-[4-(4-aminophenyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 102226256
methyl 3-(cyclopropylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 137407928
methyl (4S)-2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849599
methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 158631456
methyl (4R)-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 10520459
methyl (4S)-2-(4-but-3-enoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11098286
methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 10947036

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 73057555) is methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)[C@@H]1CSC(CC2CC2)=N1.
What is the InChIKey of methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is LYYQMZASDPRHJC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-9(11)7-5-13-8(10-7)4-6-2-3-6/h6-7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(cyclopropylmethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 73057555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).