N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide

C14H13FN4O2S — CID 56825796

IUPACN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCOc1cc(F)cc2sc(NC(=O)C(C)n3ccnc3)nc12
InChIInChI=1S/C14H13FN4O2S/c1-8(19-4-3-16-7-19)13(20)18-14-17-12-10(21-2)5-9(15)6-11(12)22-14/h3-8H,1-2H3,(H,17,18,20)
InChIKeyOXDZUCLYECSOIA-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.84
Rot. Bonds4

About N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide

N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide (PubChem CID 56825796) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
PubChem CID56825796
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC NameN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCOc1cc(F)cc2sc(NC(=O)C(C)n3ccnc3)nc12
InChIInChI=1S/C14H13FN4O2S/c1-8(19-4-3-16-7-19)13(20)18-14-17-12-10(21-2)5-9(15)6-11(12)22-14/h3-8H,1-2H3,(H,17,18,20)
InChIKeyOXDZUCLYECSOIA-UHFFFAOYSA-N
XLogP2.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The IUPAC name of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide (CID 56825796) is N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide is COc1cc(F)cc2sc(NC(=O)C(C)n3ccnc3)nc12.
What is the InChIKey of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
The InChIKey is OXDZUCLYECSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-8(19-4-3-16-7-19)13(20)18-14-17-12-10(21-2)5-9(15)6-11(12)22-14/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide?
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide has a molecular weight of 320.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 56825796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).