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

C9H16N2OS — CID 65279950

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H16N2OS/c1-6(12)5-7-10-8(11-13-7)9(2,3)4/h6,12H,5H2,1-4H3
InChIKeyLWFWSQSAHKSMOC-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.76
Rot. Bonds2

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

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol (PubChem CID 65279950) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol
PubChem CID65279950
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H16N2OS/c1-6(12)5-7-10-8(11-13-7)9(2,3)4/h6,12H,5H2,1-4H3
InChIKeyLWFWSQSAHKSMOC-UHFFFAOYSA-N
XLogP1.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol (CID 65279950) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol is CC(O)Cc1nc(C(C)(C)C)ns1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The InChIKey is LWFWSQSAHKSMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(12)5-7-10-8(11-13-7)9(2,3)4/h6,12H,5H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 65279950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).