2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide

C18H19N3O3S — CID 75463228

IUPAC2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H19N3O3S/c1-11(2)16(22)19-7-8-20-17(23)13-10-25-18(21-13)15-9-12-5-3-4-6-14(12)24-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySZXYIXVEXUXFEW-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.06
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide

2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 75463228) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID75463228
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H19N3O3S/c1-11(2)16(22)19-7-8-20-17(23)13-10-25-18(21-13)15-9-12-5-3-4-6-14(12)24-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySZXYIXVEXUXFEW-UHFFFAOYSA-N
XLogP3.06
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 75463884
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
N-[2-(2-fluorophenyl)ethyl]-2-[[(2-oxochromene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 90866689
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 75463228) is 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide is CC(C)C(=O)NCCNC(=O)c1csc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SZXYIXVEXUXFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(2)16(22)19-7-8-20-17(23)13-10-25-18(21-13)15-9-12-5-3-4-6-14(12)24-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75463228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).