methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate

C12H14N2O2S — CID 17338724

IUPACmethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate
SMILESCOC(=O)c1ccccc1NC1=NCCCS1
InChIInChI=1S/C12H14N2O2S/c1-16-11(15)9-5-2-3-6-10(9)14-12-13-7-4-8-17-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyOBWWTTJQUNMLNR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.38
Rot. Bonds2

About methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate

methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate (PubChem CID 17338724) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate
PubChem CID17338724
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate
SMILESCOC(=O)c1ccccc1NC1=NCCCS1
InChIInChI=1S/C12H14N2O2S/c1-16-11(15)9-5-2-3-6-10(9)14-12-13-7-4-8-17-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyOBWWTTJQUNMLNR-UHFFFAOYSA-N
XLogP2.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345497
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
N-(2,6-diethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148942
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
methyl 2-[(5-amino-6-hydrazinylpyrimidin-4-yl)amino]benzoate
CID 19146230
methyl 2-[[5-amino-6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 19135033
N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068099

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate?
The IUPAC name of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate (CID 17338724) is methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate.
What is the SMILES notation for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate?
The canonical SMILES for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate is COC(=O)c1ccccc1NC1=NCCCS1.
What is the InChIKey of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate?
The InChIKey is OBWWTTJQUNMLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-11(15)9-5-2-3-6-10(9)14-12-13-7-4-8-17-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14).
What are the key properties of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate?
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate has a molecular weight of 250.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoate is sourced from PubChem (CID 17338724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).