N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide

C18H15N3O4S — CID 4573559

IUPACN-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(CN2C(=O)COc3ccccc32)n1
InChIInChI=1S/C18H15N3O4S/c22-17-10-25-15-6-2-1-5-14(15)21(17)9-16-20-13(11-26-16)18(23)19-8-12-4-3-7-24-12/h1-7,11H,8-10H2,(H,19,23)
InChIKeyCWSUVSJPWVMZFC-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.59
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 4573559) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID4573559
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(CN2C(=O)COc3ccccc32)n1
InChIInChI=1S/C18H15N3O4S/c22-17-10-25-15-6-2-1-5-14(15)21(17)9-16-20-13(11-26-16)18(23)19-8-12-4-3-7-24-12/h1-7,11H,8-10H2,(H,19,23)
InChIKeyCWSUVSJPWVMZFC-UHFFFAOYSA-N
XLogP2.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42788043
N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 3968650
2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 7417660
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55526571
N-tert-butyl-2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 4586031
2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 7283745
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 4648127
N-[(2R)-butan-2-yl]-2-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 7416931
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46113981

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 4573559) is N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(CN2C(=O)COc3ccccc32)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CWSUVSJPWVMZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-17-10-25-15-6-2-1-5-14(15)21(17)9-16-20-13(11-26-16)18(23)19-8-12-4-3-7-24-12/h1-7,11H,8-10H2,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4573559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).