(5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol

C8H7ClN2OS2 — CID 105119678

IUPAC(5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1C(O)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClN2OS2/c1-4-8(14-11-10-4)7(12)5-2-3-6(9)13-5/h2-3,7,12H,1H3
InChIKeyZVFOEUCUBNQZNY-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.64
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol

(5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol (PubChem CID 105119678) has the molecular formula C8H7ClN2OS2 and a molecular weight of 246.74 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol
PubChem CID105119678
Molecular FormulaC8H7ClN2OS2
Molecular Weight246.74 g/mol
Exact Mass245.97
IUPAC Name(5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1C(O)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClN2OS2/c1-4-8(14-11-10-4)7(12)5-2-3-6(9)13-5/h2-3,7,12H,1H3
InChIKeyZVFOEUCUBNQZNY-UHFFFAOYSA-N
XLogP2.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102842379
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol (CID 105119678) is (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol is Cc1nnsc1C(O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol?
The InChIKey is ZVFOEUCUBNQZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS2/c1-4-8(14-11-10-4)7(12)5-2-3-6(9)13-5/h2-3,7,12H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol?
(5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol has a molecular weight of 246.74 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105119678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).