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

C14H17NO2S — CID 115089285

IUPAC2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
SMILESCOc1ccccc1Cc1nc(C(C)CO)cs1
InChIInChI=1S/C14H17NO2S/c1-10(8-16)12-9-18-14(15-12)7-11-5-3-4-6-13(11)17-2/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUTHVDYBMVHWUMY-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.84
Rot. Bonds5

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

2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 115089285) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
PubChem CID115089285
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
SMILESCOc1ccccc1Cc1nc(C(C)CO)cs1
InChIInChI=1S/C14H17NO2S/c1-10(8-16)12-9-18-14(15-12)7-11-5-3-4-6-13(11)17-2/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUTHVDYBMVHWUMY-UHFFFAOYSA-N
XLogP2.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271
2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol
CID 115089282
2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol
CID 115086826
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
CID 79832018
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
2-(2-methoxyphenyl)-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64556077
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089512

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol (CID 115089285) is 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol is COc1ccccc1Cc1nc(C(C)CO)cs1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is UTHVDYBMVHWUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(8-16)12-9-18-14(15-12)7-11-5-3-4-6-13(11)17-2/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 263.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 115089285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).