4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide

C20H19N3O4S — CID 38585765

IUPAC4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)s2)o1
InChIInChI=1S/C20H19N3O4S/c1-10-4-6-16(27-10)20-22-12(3)18(28-20)19(25)21-11(2)13-5-7-15-14(8-13)23-17(24)9-26-15/h4-8,11H,9H2,1-3H3,(H,21,25)(H,23,24)/t11-/m1/s1
InChIKeyFIGAPKYIQYOCIN-LLVKDONJSA-N
MW397.46 g/mol
LogP3.84
Rot. Bonds4

About 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 38585765) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID38585765
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)s2)o1
InChIInChI=1S/C20H19N3O4S/c1-10-4-6-16(27-10)20-22-12(3)18(28-20)19(25)21-11(2)13-5-7-15-14(8-13)23-17(24)9-26-15/h4-8,11H,9H2,1-3H3,(H,21,25)(H,23,24)/t11-/m1/s1
InChIKeyFIGAPKYIQYOCIN-LLVKDONJSA-N
XLogP3.84
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94163839
6-[(1S)-1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 34541568
6-[1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 51078445
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51207749
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
3-amino-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]butanamide;hydrochloride
CID 119728794
6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 84598824
5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 43071965
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 47030018
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457
2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 38585765) is 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)s2)o1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FIGAPKYIQYOCIN-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-10-4-6-16(27-10)20-22-12(3)18(28-20)19(25)21-11(2)13-5-7-15-14(8-13)23-17(24)9-26-15/h4-8,11H,9H2,1-3H3,(H,21,25)(H,23,24)/t11-/m1/s1.
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38585765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).