N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H17N3O3S — CID 87043313

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)oc1C
InChIInChI=1S/C16H17N3O3S/c1-8-9(2)22-14(18-8)7-17-16(21)11-4-5-13-12(6-11)19-15(20)10(3)23-13/h4-6,10H,7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQDMNGDQJRUWSPQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.65
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 87043313) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID87043313
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)oc1C
InChIInChI=1S/C16H17N3O3S/c1-8-9(2)22-14(18-8)7-17-16(21)11-4-5-13-12(6-11)19-15(20)10(3)23-13/h4-6,10H,7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQDMNGDQJRUWSPQ-UHFFFAOYSA-N
XLogP2.65
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 87043313) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1nc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is QDMNGDQJRUWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-8-9(2)22-14(18-8)7-17-16(21)11-4-5-13-12(6-11)19-15(20)10(3)23-13/h4-6,10H,7H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 87043313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).