2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

C10H18N2OS2 — CID 64819667

IUPAC2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-10(8-13,11-2)4-3-6-14-9-12-5-7-15-9/h5,7,11,13H,3-4,6,8H2,1-2H3
InChIKeyPXXKZADDJXITNS-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.99
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64819667) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64819667
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-10(8-13,11-2)4-3-6-14-9-12-5-7-15-9/h5,7,11,13H,3-4,6,8H2,1-2H3
InChIKeyPXXKZADDJXITNS-UHFFFAOYSA-N
XLogP1.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (CID 64819667) is 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is CNC(C)(CO)CCCSc1nccs1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is PXXKZADDJXITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-10(8-13,11-2)4-3-6-14-9-12-5-7-15-9/h5,7,11,13H,3-4,6,8H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 246.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64819667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).