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

C15H17N3O4S2 — CID 21009099

IUPACN-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCCCN1C(=O)COc2ccc(-c3csc(NS(C)(=O)=O)n3)cc21
InChIInChI=1S/C15H17N3O4S2/c1-3-6-18-12-7-10(4-5-13(12)22-8-14(18)19)11-9-23-15(16-11)17-24(2,20)21/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyDFUKZHDIIMDRSI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.32
Rot. Bonds5

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

N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 21009099) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID21009099
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC NameN-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCCCN1C(=O)COc2ccc(-c3csc(NS(C)(=O)=O)n3)cc21
InChIInChI=1S/C15H17N3O4S2/c1-3-6-18-12-7-10(4-5-13(12)22-8-14(18)19)11-9-23-15(16-11)17-24(2,20)21/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyDFUKZHDIIMDRSI-UHFFFAOYSA-N
XLogP2.32
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 16876643
6-(2-methyl-1,3-thiazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 28696082
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995344
4-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid
CID 28897428
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20995425
4-[2-(4-methylphenoxy)ethyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696013
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20995435
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 20997450
2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695856

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide (CID 21009099) is N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide is CCCN1C(=O)COc2ccc(-c3csc(NS(C)(=O)=O)n3)cc21.
What is the InChIKey of N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is DFUKZHDIIMDRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-3-6-18-12-7-10(4-5-13(12)22-8-14(18)19)11-9-23-15(16-11)17-24(2,20)21/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 21009099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).