2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine

C16H13N3OS — CID 155931528

IUPAC2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine
SMILESCN(C)c1ccc2sc(-c3nc4ccccc4o3)nc2c1
InChIInChI=1S/C16H13N3OS/c1-19(2)10-7-8-14-12(9-10)18-16(21-14)15-17-11-5-3-4-6-13(11)20-15/h3-9H,1-2H3
InChIKeyBBZLFDDUEQZXES-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.17
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine

2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine (PubChem CID 155931528) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine
PubChem CID155931528
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine
SMILESCN(C)c1ccc2sc(-c3nc4ccccc4o3)nc2c1
InChIInChI=1S/C16H13N3OS/c1-19(2)10-7-8-14-12(9-10)18-16(21-14)15-17-11-5-3-4-6-13(11)20-15/h3-9H,1-2H3
InChIKeyBBZLFDDUEQZXES-UHFFFAOYSA-N
XLogP4.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine (CID 155931528) is 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine is CN(C)c1ccc2sc(-c3nc4ccccc4o3)nc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
The InChIKey is BBZLFDDUEQZXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-19(2)10-7-8-14-12(9-10)18-16(21-14)15-17-11-5-3-4-6-13(11)20-15/h3-9H,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine has a molecular weight of 295.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N,N-dimethyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 155931528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).