1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

C10H17NO3S2 — CID 106992395

IUPAC1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCOCCOCC(O)CSc1nc(C)cs1
InChIInChI=1S/C10H17NO3S2/c1-8-6-15-10(11-8)16-7-9(12)5-14-4-3-13-2/h6,9,12H,3-5,7H2,1-2H3
InChIKeyWQFWFZDPVBEKTP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.57
Rot. Bonds8

About 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 106992395) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID106992395
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCOCCOCC(O)CSc1nc(C)cs1
InChIInChI=1S/C10H17NO3S2/c1-8-6-15-10(11-8)16-7-9(12)5-14-4-3-13-2/h6,9,12H,3-5,7H2,1-2H3
InChIKeyWQFWFZDPVBEKTP-UHFFFAOYSA-N
XLogP1.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 75858434
1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 78815982
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 93237660
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
CID 107780891
N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55437968
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 62266989
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (CID 106992395) is 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is COCCOCC(O)CSc1nc(C)cs1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is WQFWFZDPVBEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-8-6-15-10(11-8)16-7-9(12)5-14-4-3-13-2/h6,9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 106992395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).