3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide

C12H15N3OS — CID 114003567

IUPAC3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
SMILESCC1CN=C(Nc2cccc(C(N)=O)c2)SC1
InChIInChI=1S/C12H15N3OS/c1-8-6-14-12(17-7-8)15-10-4-2-3-9(5-10)11(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyVMBUUKNUQKSLGJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.94
Rot. Bonds2

About 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide

3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide (PubChem CID 114003567) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
PubChem CID114003567
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
SMILESCC1CN=C(Nc2cccc(C(N)=O)c2)SC1
InChIInChI=1S/C12H15N3OS/c1-8-6-14-12(17-7-8)15-10-4-2-3-9(5-10)11(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyVMBUUKNUQKSLGJ-UHFFFAOYSA-N
XLogP1.94
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 65035993
4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
CID 65036001
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
CID 67730537
N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 43439901
3-(methylamino)benzamide
CID 18727714
ethane;3-(methylamino)benzamide
CID 142071023
3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
CID 171387328
N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81289616
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone
CID 934675
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
3-hydrazinylbenzamide;hydrochloride
CID 90487444

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide?
The IUPAC name of 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide (CID 114003567) is 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide?
The canonical SMILES for 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide is CC1CN=C(Nc2cccc(C(N)=O)c2)SC1.
What is the InChIKey of 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide?
The InChIKey is VMBUUKNUQKSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-6-14-12(17-7-8)15-10-4-2-3-9(5-10)11(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide?
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide has a molecular weight of 249.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide is sourced from PubChem (CID 114003567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).