N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

C16H17N3O3S — CID 20995344

IUPACN-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)cs1
InChIInChI=1S/C16H17N3O3S/c1-3-4-14(20)18-16-17-11(9-23-16)10-5-6-13-12(7-10)19(2)15(21)8-22-13/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,20)
InChIKeyJMFVSJOFMSFPFL-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.90
Rot. Bonds4

About N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 20995344) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID20995344
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)cs1
InChIInChI=1S/C16H17N3O3S/c1-3-4-14(20)18-16-17-11(9-23-16)10-5-6-13-12(7-10)19(2)15(21)8-22-13/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,20)
InChIKeyJMFVSJOFMSFPFL-UHFFFAOYSA-N
XLogP2.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 16876643
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
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]-3-(4-methylphenyl)propanamide
CID 20997450
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 22694414
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 21009015
3-bromo-N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20997530
3-chloro-N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20997529
N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21009099
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20995425
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20995435
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
CID 108730853

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide (CID 20995344) is N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)cs1.
What is the InChIKey of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is JMFVSJOFMSFPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-4-14(20)18-16-17-11(9-23-16)10-5-6-13-12(7-10)19(2)15(21)8-22-13/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide?
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 331.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 20995344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).