N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine

C12H10N2OS — CID 944851

IUPACN-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1coc(CNc2nc3ccccc3s2)c1
InChIInChI=1S/C12H10N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-7H,8H2,(H,13,14)
InChIKeyUASYKADDHTUIKO-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.50
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine

N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 944851) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID944851
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC NameN-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1coc(CNc2nc3ccccc3s2)c1
InChIInChI=1S/C12H10N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-7H,8H2,(H,13,14)
InChIKeyUASYKADDHTUIKO-UHFFFAOYSA-N
XLogP3.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 944851) is N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine is c1coc(CNc2nc3ccccc3s2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is UASYKADDHTUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-7H,8H2,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine?
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 230.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 944851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).