N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C19H13FN2OS2 — CID 7615815

IUPACN-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H13FN2OS2/c20-14-8-9-15-17(11-14)25-19(21-15)22(12-13-5-2-1-3-6-13)18(23)16-7-4-10-24-16/h1-11H,12H2
InChIKeyLZGMTENYLRPOBE-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.34
Rot. Bonds4

About N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7615815) has the molecular formula C19H13FN2OS2 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7615815
Molecular FormulaC19H13FN2OS2
Molecular Weight368.46 g/mol
Exact Mass368.05
IUPAC NameN-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H13FN2OS2/c20-14-8-9-15-17(11-14)25-19(21-15)22(12-13-5-2-1-3-6-13)18(23)16-7-4-10-24-16/h1-11H,12H2
InChIKeyLZGMTENYLRPOBE-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 689669
CID 689669
CID 749175
CID 749175
CID 953485
CID 953485
CID 2155389
CID 2155389
CID 739615
CID 739615
CID 7163152
CID 7163152
CID 132145761
CID 132145761
CID 1430047
CID 1430047
CID 953496
CID 953496
CID 717947
CID 717947
CID 843289
CID 843289
CID 71521915
CID 71521915

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7615815) is N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is LZGMTENYLRPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS2/c20-14-8-9-15-17(11-14)25-19(21-15)22(12-13-5-2-1-3-6-13)18(23)16-7-4-10-24-16/h1-11H,12H2.
What are the key properties of N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7615815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).