2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide

C20H14N4O2S2 — CID 55585334

IUPAC2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C20H14N4O2S2/c25-18(21-11-14-12-24-8-10-27-20(24)22-14)17-16(13-5-2-1-3-6-13)23-19(28-17)15-7-4-9-26-15/h1-10,12H,11H2,(H,21,25)
InChIKeyIBYBVJJALODUSN-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.71
Rot. Bonds5

About 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55585334) has the molecular formula C20H14N4O2S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55585334
Molecular FormulaC20H14N4O2S2
Molecular Weight406.49 g/mol
Exact Mass406.06
IUPAC Name2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C20H14N4O2S2/c25-18(21-11-14-12-24-8-10-27-20(24)22-14)17-16(13-5-2-1-3-6-13)23-19(28-17)15-7-4-9-26-15/h1-10,12H,11H2,(H,21,25)
InChIKeyIBYBVJJALODUSN-UHFFFAOYSA-N
XLogP4.71
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675
N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 86946512
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134027846
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36799563
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
1-[2-(furan-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111354404
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 46551376
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 55585334) is 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide is O=C(NCc1cn2ccsc2n1)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IBYBVJJALODUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S2/c25-18(21-11-14-12-24-8-10-27-20(24)22-14)17-16(13-5-2-1-3-6-13)23-19(28-17)15-7-4-9-26-15/h1-10,12H,11H2,(H,21,25).
What are the key properties of 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55585334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).