2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol

C6H10N2OS2 — CID 142522477

IUPAC2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1csc(SN)n1
InChIInChI=1S/C6H10N2OS2/c1-6(2,9)4-3-10-5(8-4)11-7/h3,9H,7H2,1-2H3
InChIKeyYFDVUKBNPJWNNV-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.34
Rot. Bonds2

About 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol

2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 142522477) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID142522477
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1csc(SN)n1
InChIInChI=1S/C6H10N2OS2/c1-6(2,9)4-3-10-5(8-4)11-7/h3,9H,7H2,1-2H3
InChIKeyYFDVUKBNPJWNNV-UHFFFAOYSA-N
XLogP1.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol (CID 142522477) is 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol is CC(C)(O)c1csc(SN)n1.
What is the InChIKey of 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is YFDVUKBNPJWNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-6(2,9)4-3-10-5(8-4)11-7/h3,9H,7H2,1-2H3.
What are the key properties of 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol?
2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 190.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 142522477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).