(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol

C12H14N2O2S — CID 105125917

IUPAC(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCCCOc1ccccc1C(O)c1cnsn1
InChIInChI=1S/C12H14N2O2S/c1-2-7-16-11-6-4-3-5-9(11)12(15)10-8-13-17-14-10/h3-6,8,12,15H,2,7H2,1H3
InChIKeyNYXWCCZSNKHDLN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.41
Rot. Bonds5

About (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol

(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105125917) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105125917
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCCCOc1ccccc1C(O)c1cnsn1
InChIInChI=1S/C12H14N2O2S/c1-2-7-16-11-6-4-3-5-9(11)12(15)10-8-13-17-14-10/h3-6,8,12,15H,2,7H2,1H3
InChIKeyNYXWCCZSNKHDLN-UHFFFAOYSA-N
XLogP2.41
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962
1-(2-propoxyphenyl)ethanol
CID 43503976
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
CID 104658570
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
CID 104658650
(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105095204
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
CID 104658893

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105125917) is (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol is CCCOc1ccccc1C(O)c1cnsn1.
What is the InChIKey of (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is NYXWCCZSNKHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-7-16-11-6-4-3-5-9(11)12(15)10-8-13-17-14-10/h3-6,8,12,15H,2,7H2,1H3.
What are the key properties of (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 250.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105125917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).