N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C17H15N3O3S — CID 84555759

IUPACN-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C17H15N3O3S/c21-15(9-12-5-2-1-3-6-12)20-17-19-14(11-24-17)16(22)18-10-13-7-4-8-23-13/h1-8,11H,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyLGAYLXJTQKGUJU-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.85
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84555759) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84555759
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C17H15N3O3S/c21-15(9-12-5-2-1-3-6-12)20-17-19-14(11-24-17)16(22)18-10-13-7-4-8-23-13/h1-8,11H,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyLGAYLXJTQKGUJU-UHFFFAOYSA-N
XLogP2.85
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915083
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46113981
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 84555759) is N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is O=C(Cc1ccccc1)Nc1nc(C(=O)NCc2ccco2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is LGAYLXJTQKGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-15(9-12-5-2-1-3-6-12)20-17-19-14(11-24-17)16(22)18-10-13-7-4-8-23-13/h1-8,11H,9-10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84555759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).