1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol

C16H18N2O3S — CID 658472

IUPAC1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol
SMILESC/N=c1\sc2ccccc2n1CC(O)COCc1ccco1
InChIInChI=1S/C16H18N2O3S/c1-17-16-18(14-6-2-3-7-15(14)22-16)9-12(19)10-20-11-13-5-4-8-21-13/h2-8,12,19H,9-11H2,1H3/b17-16-
InChIKeyJZUZUUAVULQWEX-MSUUIHNZSA-N
MW318.40 g/mol
LogP2.40
Rot. Bonds6

About 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol

1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol (PubChem CID 658472) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol
PubChem CID658472
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol
SMILESC/N=c1\sc2ccccc2n1CC(O)COCc1ccco1
InChIInChI=1S/C16H18N2O3S/c1-17-16-18(14-6-2-3-7-15(14)22-16)9-12(19)10-20-11-13-5-4-8-21-13/h2-8,12,19H,9-11H2,1H3/b17-16-
InChIKeyJZUZUUAVULQWEX-MSUUIHNZSA-N
XLogP2.40
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol (CID 658472) is 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol is C/N=c1\sc2ccccc2n1CC(O)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol?
The InChIKey is JZUZUUAVULQWEX-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-17-16-18(14-6-2-3-7-15(14)22-16)9-12(19)10-20-11-13-5-4-8-21-13/h2-8,12,19H,9-11H2,1H3/b17-16-.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol?
1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol has a molecular weight of 318.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(2-methylimino-1,3-benzothiazol-3-yl)propan-2-ol is sourced from PubChem (CID 658472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).