5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol

C9H17N3OS — CID 107203400

IUPAC5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
SMILESCc1nnc(N(C)CCCCCO)s1
InChIInChI=1S/C9H17N3OS/c1-8-10-11-9(14-8)12(2)6-4-3-5-7-13/h13H,3-7H2,1-2H3
InChIKeyQCDVKLAQRNUPLQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.45
Rot. Bonds6

About 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol

5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol (PubChem CID 107203400) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
PubChem CID107203400
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
SMILESCc1nnc(N(C)CCCCCO)s1
InChIInChI=1S/C9H17N3OS/c1-8-10-11-9(14-8)12(2)6-4-3-5-7-13/h13H,3-7H2,1-2H3
InChIKeyQCDVKLAQRNUPLQ-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol (CID 107203400) is 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol is Cc1nnc(N(C)CCCCCO)s1.
What is the InChIKey of 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol?
The InChIKey is QCDVKLAQRNUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-8-10-11-9(14-8)12(2)6-4-3-5-7-13/h13H,3-7H2,1-2H3.
What are the key properties of 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol?
5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 107203400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).