4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

C20H16ClN3O3S — CID 20995425

IUPAC4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)cc21
InChIInChI=1S/C20H16ClN3O3S/c1-2-24-16-9-13(5-8-17(16)27-10-18(24)25)15-11-28-20(22-15)23-19(26)12-3-6-14(21)7-4-12/h3-9,11H,2,10H2,1H3,(H,22,23,26)
InChIKeyHBWJDDRKLYBYMQ-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 20995425) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID20995425
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)cc21
InChIInChI=1S/C20H16ClN3O3S/c1-2-24-16-9-13(5-8-17(16)27-10-18(24)25)15-11-28-20(22-15)23-19(26)12-3-6-14(21)7-4-12/h3-9,11H,2,10H2,1H3,(H,22,23,26)
InChIKeyHBWJDDRKLYBYMQ-UHFFFAOYSA-N
XLogP4.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 22694411
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
3-chloro-N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20997529
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20995435
4-methyl-N-[4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20997475
3-bromo-N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20997530
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 20997450
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 16876643
4-bromo-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 21001945
2-fluoro-N-[4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 21009055
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 21001919
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 22694414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide (CID 20995425) is 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide is CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)cc21.
What is the InChIKey of 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is HBWJDDRKLYBYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-2-24-16-9-13(5-8-17(16)27-10-18(24)25)15-11-28-20(22-15)23-19(26)12-3-6-14(21)7-4-12/h3-9,11H,2,10H2,1H3,(H,22,23,26).
What are the key properties of 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 413.89 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 20995425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).