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

C9H16N2OS2 — CID 64821470

IUPAC2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(N)(CO)CCCSc1nccs1
InChIInChI=1S/C9H16N2OS2/c1-9(10,7-12)3-2-5-13-8-11-4-6-14-8/h4,6,12H,2-3,5,7,10H2,1H3
InChIKeyKWQVKXXFUUTERC-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.73
Rot. Bonds6

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

2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64821470) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64821470
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(N)(CO)CCCSc1nccs1
InChIInChI=1S/C9H16N2OS2/c1-9(10,7-12)3-2-5-13-8-11-4-6-14-8/h4,6,12H,2-3,5,7,10H2,1H3
InChIKeyKWQVKXXFUUTERC-UHFFFAOYSA-N
XLogP1.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.73
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-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (CID 64821470) is 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is CC(N)(CO)CCCSc1nccs1.
What is the InChIKey of 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is KWQVKXXFUUTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-9(10,7-12)3-2-5-13-8-11-4-6-14-8/h4,6,12H,2-3,5,7,10H2,1H3.
What are the key properties of 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64821470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).