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

C6H10N2OS — CID 102537412

IUPAC(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol
SMILESCC(C)c1nnc(CO)s1
InChIInChI=1S/C6H10N2OS/c1-4(2)6-8-7-5(3-9)10-6/h4,9H,3H2,1-2H3
InChIKeyWUEXGIWANSQVGF-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.15
Rot. Bonds2

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

(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol (PubChem CID 102537412) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol
PubChem CID102537412
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol
SMILESCC(C)c1nnc(CO)s1
InChIInChI=1S/C6H10N2OS/c1-4(2)6-8-7-5(3-9)10-6/h4,9H,3H2,1-2H3
InChIKeyWUEXGIWANSQVGF-UHFFFAOYSA-N
XLogP1.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol?
The IUPAC name of (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol (CID 102537412) is (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol.
What is the SMILES notation for (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol?
The canonical SMILES for (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol is CC(C)c1nnc(CO)s1.
What is the InChIKey of (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol?
The InChIKey is WUEXGIWANSQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(2)6-8-7-5(3-9)10-6/h4,9H,3H2,1-2H3.
What are the key properties of (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol?
(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol has a molecular weight of 158.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanol is sourced from PubChem (CID 102537412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).