2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

C10H18N2OS2 — CID 64820800

IUPAC2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCNC(C)(CO)CC(C)Sc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-8(6-10(2,7-13)11-3)15-9-12-4-5-14-9/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyYFIQQPOLUQRLGS-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.98
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64820800) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64820800
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCNC(C)(CO)CC(C)Sc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-8(6-10(2,7-13)11-3)15-9-12-4-5-14-9/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyYFIQQPOLUQRLGS-UHFFFAOYSA-N
XLogP1.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.98
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 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (CID 64820800) is 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is CNC(C)(CO)CC(C)Sc1nccs1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is YFIQQPOLUQRLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-8(6-10(2,7-13)11-3)15-9-12-4-5-14-9/h4-5,8,11,13H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 246.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64820800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).