N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C23H18FN3O2S2 — CID 5062414

IUPACN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
InChIInChI=1S/C23H18FN3O2S2/c24-17-7-5-16(6-8-17)20-14-27-18(15-31-23(27)25-20)9-10-26(13-19-3-1-11-29-19)22(28)21-4-2-12-30-21/h1-8,11-12,14-15H,9-10,13H2
InChIKeyJMPTVEYVUXKJMA-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.74
Rot. Bonds7

About N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 5062414) has the molecular formula C23H18FN3O2S2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID5062414
Molecular FormulaC23H18FN3O2S2
Molecular Weight451.55 g/mol
Exact Mass451.08
IUPAC NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
InChIInChI=1S/C23H18FN3O2S2/c24-17-7-5-16(6-8-17)20-14-27-18(15-31-23(27)25-20)9-10-26(13-19-3-1-11-29-19)22(28)21-4-2-12-30-21/h1-8,11-12,14-15H,9-10,13H2
InChIKeyJMPTVEYVUXKJMA-UHFFFAOYSA-N
XLogP5.74
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 5062414) is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1.
What is the InChIKey of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JMPTVEYVUXKJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S2/c24-17-7-5-16(6-8-17)20-14-27-18(15-31-23(27)25-20)9-10-26(13-19-3-1-11-29-19)22(28)21-4-2-12-30-21/h1-8,11-12,14-15H,9-10,13H2.
What are the key properties of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 5062414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).