(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol

C12H14N2OS — CID 105095204

IUPAC(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCCCc1ccc(C(O)c2cnsn2)cc1
InChIInChI=1S/C12H14N2OS/c1-2-3-9-4-6-10(7-5-9)12(15)11-8-13-16-14-11/h4-8,12,15H,2-3H2,1H3
InChIKeyVZRANDOCLPUUTI-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.57
Rot. Bonds4

About (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol

(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105095204) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105095204
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCCCc1ccc(C(O)c2cnsn2)cc1
InChIInChI=1S/C12H14N2OS/c1-2-3-9-4-6-10(7-5-9)12(15)11-8-13-16-14-11/h4-8,12,15H,2-3H2,1H3
InChIKeyVZRANDOCLPUUTI-UHFFFAOYSA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105096821
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
(2,6-dimethyl-4-pyridinyl)-(4-propylphenyl)methanol
CID 107502916
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067
(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
CID 79807812
(4-propylphenyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81143867
(4-propylphenyl)-quinoxalin-6-ylmethanol
CID 62876417
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
CID 80537952
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918
bis(4-tridecylphenyl)methanol
CID 139673626

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105095204) is (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol is CCCc1ccc(C(O)c2cnsn2)cc1.
What is the InChIKey of (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is VZRANDOCLPUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-3-9-4-6-10(7-5-9)12(15)11-8-13-16-14-11/h4-8,12,15H,2-3H2,1H3.
What are the key properties of (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 234.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105095204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).