N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine

C14H14N2OS — CID 71300260

IUPACN-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(C)c2sc(NCc3ccco3)nc12
InChIInChI=1S/C14H14N2OS/c1-9-5-6-10(2)13-12(9)16-14(18-13)15-8-11-4-3-7-17-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyXCEJDAURDIOGOB-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.12
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine

N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 71300260) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
PubChem CID71300260
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(C)c2sc(NCc3ccco3)nc12
InChIInChI=1S/C14H14N2OS/c1-9-5-6-10(2)13-12(9)16-14(18-13)15-8-11-4-3-7-17-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyXCEJDAURDIOGOB-UHFFFAOYSA-N
XLogP4.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.12
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)-4,7-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine (CID 71300260) is N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine is Cc1ccc(C)c2sc(NCc3ccco3)nc12.
What is the InChIKey of N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is XCEJDAURDIOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-5-6-10(2)13-12(9)16-14(18-13)15-8-11-4-3-7-17-11/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine?
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 258.35 g/mol, XLogP of 4.12, 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)-4,7-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71300260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).