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

C7H12N2OS — CID 134201360

IUPAC2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCc1nnc(C(C)(C)CO)s1
InChIInChI=1S/C7H12N2OS/c1-5-8-9-6(11-5)7(2,3)4-10/h10H,4H2,1-3H3
InChIKeyZLUUHAGXQQDZRN-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.12
Rot. Bonds2

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

2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol (PubChem CID 134201360) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
PubChem CID134201360
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCc1nnc(C(C)(C)CO)s1
InChIInChI=1S/C7H12N2OS/c1-5-8-9-6(11-5)7(2,3)4-10/h10H,4H2,1-3H3
InChIKeyZLUUHAGXQQDZRN-UHFFFAOYSA-N
XLogP1.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol (CID 134201360) is 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol is Cc1nnc(C(C)(C)CO)s1.
What is the InChIKey of 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The InChIKey is ZLUUHAGXQQDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-8-9-6(11-5)7(2,3)4-10/h10H,4H2,1-3H3.
What are the key properties of 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol is sourced from PubChem (CID 134201360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).