propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate

C16H19NO3S — CID 174822877

IUPACpropan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate
SMILESCc1ncsc1C(C(=O)OCOC(C)C)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-11(2)19-10-20-16(18)14(13-7-5-4-6-8-13)15-12(3)17-9-21-15/h4-9,11,14H,10H2,1-3H3
InChIKeyKSBKRKXNCCRTQR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.51
Rot. Bonds6

About propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate

propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate (PubChem CID 174822877) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate.

Molecular Properties

Compound Namepropan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate
PubChem CID174822877
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namepropan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate
SMILESCc1ncsc1C(C(=O)OCOC(C)C)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-11(2)19-10-20-16(18)14(13-7-5-4-6-8-13)15-12(3)17-9-21-15/h4-9,11,14H,10H2,1-3H3
InChIKeyKSBKRKXNCCRTQR-UHFFFAOYSA-N
XLogP3.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 2-[5-[1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]acetate
CID 147400992
[2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
CID 174567811
[2-(4-Methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate
CID 174582622
[2-(3-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
CID 174770640
[2-(2-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
CID 174770952
1-(2-Fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-one
CID 62028878
1-(4-Fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-one
CID 62028879
2-[(2-Fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 62071528
2-[(4-Fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 62071689
2-[(3-Fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 62071691
2-(4-Methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 78782500
2-(4-Fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 79434603

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate?
The IUPAC name of propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate (CID 174822877) is propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate.
What is the SMILES notation for propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate?
The canonical SMILES for propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate is Cc1ncsc1C(C(=O)OCOC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate?
The InChIKey is KSBKRKXNCCRTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11(2)19-10-20-16(18)14(13-7-5-4-6-8-13)15-12(3)17-9-21-15/h4-9,11,14H,10H2,1-3H3.
What are the key properties of propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate?
propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate has a molecular weight of 305.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate is sourced from PubChem (CID 174822877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).