amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol

C6H10N2OS — CID 57108892

IUPACamino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol
SMILESCc1nc(C(N)O)sc1C
InChIInChI=1S/C6H10N2OS/c1-3-4(2)10-6(8-3)5(7)9/h5,9H,7H2,1-2H3
InChIKeyYKSDZWUCRNYYST-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.71
Rot. Bonds1

About amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol

amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol (PubChem CID 57108892) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Nameamino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol
PubChem CID57108892
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Nameamino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol
SMILESCc1nc(C(N)O)sc1C
InChIInChI=1S/C6H10N2OS/c1-3-4(2)10-6(8-3)5(7)9/h5,9H,7H2,1-2H3
InChIKeyYKSDZWUCRNYYST-UHFFFAOYSA-N
XLogP0.71
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol (CID 57108892) is amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol is Cc1nc(C(N)O)sc1C.
What is the InChIKey of amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol?
The InChIKey is YKSDZWUCRNYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-4(2)10-6(8-3)5(7)9/h5,9H,7H2,1-2H3.
What are the key properties of amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol?
amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol has a molecular weight of 158.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 57108892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).