5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide

C19H21FN4O3S — CID 170776328

IUPAC5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)s1
InChIInChI=1S/C19H21FN4O3S/c1-9(2)15(16-10(3)12-7-11(20)5-6-13(12)27-16)24-19(26)23-14-8-22-18(28-14)17(25)21-4/h5-9,15H,1-4H3,(H,21,25)(H2,23,24,26)
InChIKeyHZIPHHGBXXIKJP-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.22
Rot. Bonds5

About 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide

5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 170776328) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID170776328
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)s1
InChIInChI=1S/C19H21FN4O3S/c1-9(2)15(16-10(3)12-7-11(20)5-6-13(12)27-16)24-19(26)23-14-8-22-18(28-14)17(25)21-4/h5-9,15H,1-4H3,(H,21,25)(H2,23,24,26)
InChIKeyHZIPHHGBXXIKJP-UHFFFAOYSA-N
XLogP4.22
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide (CID 170776328) is 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide is CNC(=O)c1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)s1.
What is the InChIKey of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is HZIPHHGBXXIKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-9(2)15(16-10(3)12-7-11(20)5-6-13(12)27-16)24-19(26)23-14-8-22-18(28-14)17(25)21-4/h5-9,15H,1-4H3,(H,21,25)(H2,23,24,26).
What are the key properties of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide?
5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 170776328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).