1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C16H19NO2S — CID 104769993

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)CC2CCOc3ccccc32)cs1
InChIInChI=1S/C16H19NO2S/c1-11-17-13(10-20-11)9-14(18)8-12-6-7-19-16-5-3-2-4-15(12)16/h2-5,10,12,14,18H,6-9H2,1H3
InChIKeyIPELNCPLZPALKP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 104769993) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID104769993
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)CC2CCOc3ccccc32)cs1
InChIInChI=1S/C16H19NO2S/c1-11-17-13(10-20-11)9-14(18)8-12-6-7-19-16-5-3-2-4-15(12)16/h2-5,10,12,14,18H,6-9H2,1H3
InChIKeyIPELNCPLZPALKP-UHFFFAOYSA-N
XLogP3.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421432
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
1-(4-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104769293
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115718431
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl] 2-methyl-1,3-thiazole-4-carboxylate
CID 97204271
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 119147279

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 104769993) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)CC2CCOc3ccccc32)cs1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is IPELNCPLZPALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-17-13(10-20-11)9-14(18)8-12-6-7-19-16-5-3-2-4-15(12)16/h2-5,10,12,14,18H,6-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 289.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 104769993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).