(4-methylthiadiazol-5-yl)methanol

C4H6N2OS — CID 18411623

IUPAC(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1CO
InChIInChI=1S/C4H6N2OS/c1-3-4(2-7)8-6-5-3/h7H,2H2,1H3
InChIKeyMQLRVKHKJCRSBO-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.34
Rot. Bonds1

About (4-methylthiadiazol-5-yl)methanol

(4-methylthiadiazol-5-yl)methanol (PubChem CID 18411623) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)methanol
PubChem CID18411623
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1CO
InChIInChI=1S/C4H6N2OS/c1-3-4(2-7)8-6-5-3/h7H,2H2,1H3
InChIKeyMQLRVKHKJCRSBO-UHFFFAOYSA-N
XLogP0.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-1,2,3-thiadiazol-4-yl)methanol
CID 20147613
[4-(Trifluoromethyl)thiadiazol-5-yl]methanol
CID 130129698
[5-(Trifluoromethyl)thiadiazol-4-yl]methanol
CID 141237838
5-(Methoxymethyl)-4-methylthiadiazole
CID 15906646
[5-(Hydroxymethyl)thiadiazol-4-yl]methanol
CID 20557871
4-Methyl-5-(methylperoxymethyl)thiadiazole
CID 58773013
(4-Ethylthiadiazol-5-yl)methanol
CID 65210052
O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride
CID 70124560
[4-(Chloromethyl)thiadiazol-5-yl]methanol
CID 55298465
O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine
CID 70124561
Sodium hydroxy-(4-methylthiadiazol-5-yl)methanesulfonate
CID 130965335
Hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid
CID 130965336

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)methanol?
The IUPAC name of (4-methylthiadiazol-5-yl)methanol (CID 18411623) is (4-methylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-methylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-methylthiadiazol-5-yl)methanol is Cc1nnsc1CO.
What is the InChIKey of (4-methylthiadiazol-5-yl)methanol?
The InChIKey is MQLRVKHKJCRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-3-4(2-7)8-6-5-3/h7H,2H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)methanol?
(4-methylthiadiazol-5-yl)methanol has a molecular weight of 130.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)methanol is sourced from PubChem (CID 18411623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).