BOIRCBIMJBXILV-UHFFFAOYSA-N

C8H11NO3S — CID 66819910

IUPAC[2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(c2ncc(CO)s2)OCCO1
InChIInChI=1S/C8H11NO3S/c1-8(11-2-3-12-8)7-9-4-6(5-10)13-7/h4,10H,2-3,5H2,1H3
InChIKeyBOIRCBIMJBXILV-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.85
Rot. Bonds2

About BOIRCBIMJBXILV-UHFFFAOYSA-N

BOIRCBIMJBXILV-UHFFFAOYSA-N (PubChem CID 66819910) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is [2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound NameBOIRCBIMJBXILV-UHFFFAOYSA-N
PubChem CID66819910
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name[2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(c2ncc(CO)s2)OCCO1
InChIInChI=1S/C8H11NO3S/c1-8(11-2-3-12-8)7-9-4-6(5-10)13-7/h4,10H,2-3,5H2,1H3
InChIKeyBOIRCBIMJBXILV-UHFFFAOYSA-N
XLogP0.85
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of BOIRCBIMJBXILV-UHFFFAOYSA-N?
The IUPAC name of BOIRCBIMJBXILV-UHFFFAOYSA-N (CID 66819910) is [2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for BOIRCBIMJBXILV-UHFFFAOYSA-N?
The canonical SMILES for BOIRCBIMJBXILV-UHFFFAOYSA-N is CC1(c2ncc(CO)s2)OCCO1.
What is the InChIKey of BOIRCBIMJBXILV-UHFFFAOYSA-N?
The InChIKey is BOIRCBIMJBXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-8(11-2-3-12-8)7-9-4-6(5-10)13-7/h4,10H,2-3,5H2,1H3.
What are the key properties of BOIRCBIMJBXILV-UHFFFAOYSA-N?
BOIRCBIMJBXILV-UHFFFAOYSA-N has a molecular weight of 201.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for BOIRCBIMJBXILV-UHFFFAOYSA-N is sourced from PubChem (CID 66819910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).