methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate

C10H15NO2S2 — CID 79629528

IUPACmethyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)C(C)(C)CSc1nc(C)cs1
InChIInChI=1S/C10H15NO2S2/c1-7-5-14-9(11-7)15-6-10(2,3)8(12)13-4/h5H,6H2,1-4H3
InChIKeyFGHPNHLIQGWDSK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds4

About methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate

methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate (PubChem CID 79629528) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate
PubChem CID79629528
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Namemethyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)C(C)(C)CSc1nc(C)cs1
InChIInChI=1S/C10H15NO2S2/c1-7-5-14-9(11-7)15-6-10(2,3)8(12)13-4/h5H,6H2,1-4H3
InChIKeyFGHPNHLIQGWDSK-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 79629737
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CID 43414039
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
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methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate
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3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
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CID 55960096
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2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2532628
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
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2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 127002555
methyl 2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104602571
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CID 103351434

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate (CID 79629528) is methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate is COC(=O)C(C)(C)CSc1nc(C)cs1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate?
The InChIKey is FGHPNHLIQGWDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-7-5-14-9(11-7)15-6-10(2,3)8(12)13-4/h5H,6H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate?
methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate has a molecular weight of 245.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 79629528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).