(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol

C9H17N3OS — CID 126988133

IUPAC(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-6(5-13)10-8-12-11-7(14-8)9(2,3)4/h6,13H,5H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyBTQSZECYVVXOIM-LURJTMIESA-N
MW215.32 g/mol
LogP1.63
Rot. Bonds3

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

(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 126988133) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
PubChem CID126988133
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-6(5-13)10-8-12-11-7(14-8)9(2,3)4/h6,13H,5H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyBTQSZECYVVXOIM-LURJTMIESA-N
XLogP1.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (CID 126988133) is (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is C[C@@H](CO)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is BTQSZECYVVXOIM-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3OS/c1-6(5-13)10-8-12-11-7(14-8)9(2,3)4/h6,13H,5H2,1-4H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 126988133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).