3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

C10H18N2OS2 — CID 114370517

IUPAC3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)Sc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-10(2,3)8(11)7(6-13)15-9-12-4-5-14-9/h4-5,7-8,13H,6,11H2,1-3H3
InChIKeyOKRXAMGJRNHYQV-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.97
Rot. Bonds4

About 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 114370517) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID114370517
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)Sc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-10(2,3)8(11)7(6-13)15-9-12-4-5-14-9/h4-5,7-8,13H,6,11H2,1-3H3
InChIKeyOKRXAMGJRNHYQV-UHFFFAOYSA-N
XLogP1.97
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (CID 114370517) is 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is CC(C)(C)C(N)C(CO)Sc1nccs1.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is OKRXAMGJRNHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-10(2,3)8(11)7(6-13)15-9-12-4-5-14-9/h4-5,7-8,13H,6,11H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 246.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 114370517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).