(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C11H14N2OS2 — CID 102842379

IUPAC(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCc1sccc1C(O)c1snnc1C(C)C
InChIInChI=1S/C11H14N2OS2/c1-6(2)9-11(16-13-12-9)10(14)8-4-5-15-7(8)3/h4-6,10,14H,1-3H3
InChIKeyUUTOPVQAGMOGOH-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.11
Rot. Bonds3

About (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 102842379) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID102842379
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCc1sccc1C(O)c1snnc1C(C)C
InChIInChI=1S/C11H14N2OS2/c1-6(2)9-11(16-13-12-9)10(14)8-4-5-15-7(8)3/h4-6,10,14H,1-3H3
InChIKeyUUTOPVQAGMOGOH-UHFFFAOYSA-N
XLogP3.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 102842463
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
Phenyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105076371
(4-Ethylthiadiazol-5-yl)-phenylmethanol
CID 105076372
Phenyl-(4-propylthiadiazol-5-yl)methanol
CID 105076401
1-(4-Methylthiadiazol-5-yl)-2-phenylethanol
CID 105076487
1-(4-Ethylthiadiazol-5-yl)-2-phenylethanol
CID 105076545
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 102842379) is (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol is Cc1sccc1C(O)c1snnc1C(C)C.
What is the InChIKey of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is UUTOPVQAGMOGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-6(2)9-11(16-13-12-9)10(14)8-4-5-15-7(8)3/h4-6,10,14H,1-3H3.
What are the key properties of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 254.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 102842379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).