methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate

C8H8ClNO3S2 — CID 79325850

IUPACmethyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(SC2COC2)nc1Cl
InChIInChI=1S/C8H8ClNO3S2/c1-12-7(11)5-6(9)10-8(15-5)14-4-2-13-3-4/h4H,2-3H2,1H3
InChIKeyFHAYOQTYDRPEGO-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate (PubChem CID 79325850) has the molecular formula C8H8ClNO3S2 and a molecular weight of 265.74 g/mol. Its IUPAC name is methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
PubChem CID79325850
Molecular FormulaC8H8ClNO3S2
Molecular Weight265.74 g/mol
Exact Mass264.96
IUPAC Namemethyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(SC2COC2)nc1Cl
InChIInChI=1S/C8H8ClNO3S2/c1-12-7(11)5-6(9)10-8(15-5)14-4-2-13-3-4/h4H,2-3H2,1H3
InChIKeyFHAYOQTYDRPEGO-UHFFFAOYSA-N
XLogP2.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 130580867
methyl 4-chloro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylate
CID 115383148
methyl 2-(4-acetamidophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 60844924
methyl 4-chloro-2-(1H-imidazol-2-ylsulfanyl)-1,3-thiazole-5-carboxylate
CID 103894594
methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate
CID 60844575
methyl 4-chloro-2-(oxan-4-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 62350309
methyl 4-chloro-2-(3,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carboxylate
CID 60844923
methyl 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 55070538
methyl 4-chloro-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 103768475
methyl 4-chloro-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 133426526
methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 62803555
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate (CID 79325850) is methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(SC2COC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
The InChIKey is FHAYOQTYDRPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S2/c1-12-7(11)5-6(9)10-8(15-5)14-4-2-13-3-4/h4H,2-3H2,1H3.
What are the key properties of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate has a molecular weight of 265.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 79325850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).