N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide

C17H17FN4O2S — CID 162380355

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1cnc[nH]1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H17FN4O2S/c18-12-1-2-14-15(7-12)25-17(21-14)22(9-13-8-19-10-20-13)16(23)11-3-5-24-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,19,20)
InChIKeyNUCQHBMQAFSQKL-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.12
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide (PubChem CID 162380355) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide
PubChem CID162380355
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1cnc[nH]1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H17FN4O2S/c18-12-1-2-14-15(7-12)25-17(21-14)22(9-13-8-19-10-20-13)16(23)11-3-5-24-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,19,20)
InChIKeyNUCQHBMQAFSQKL-UHFFFAOYSA-N
XLogP3.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide (CID 162380355) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide is O=C(C1CCOCC1)N(Cc1cnc[nH]1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide?
The InChIKey is NUCQHBMQAFSQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-12-1-2-14-15(7-12)25-17(21-14)22(9-13-8-19-10-20-13)16(23)11-3-5-24-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,19,20).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 162380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).