6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one

C14H15N3OS2 — CID 43723199

IUPAC6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
SMILESCc1nc(C(C)Nc2ccc3c(c2)NC(=O)CS3)cs1
InChIInChI=1S/C14H15N3OS2/c1-8(12-6-19-9(2)16-12)15-10-3-4-13-11(5-10)17-14(18)7-20-13/h3-6,8,15H,7H2,1-2H3,(H,17,18)
InChIKeyNGRNFMUYKWZBGB-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.67
Rot. Bonds3

About 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one

6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one (PubChem CID 43723199) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
PubChem CID43723199
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
SMILESCc1nc(C(C)Nc2ccc3c(c2)NC(=O)CS3)cs1
InChIInChI=1S/C14H15N3OS2/c1-8(12-6-19-9(2)16-12)15-10-3-4-13-11(5-10)17-14(18)7-20-13/h3-6,8,15H,7H2,1-2H3,(H,17,18)
InChIKeyNGRNFMUYKWZBGB-UHFFFAOYSA-N
XLogP3.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(4-methylphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723176
6-[1-(4-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723169
6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723190
6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43226997
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
6-(1-methoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 62535463
6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 115917300
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one (CID 43723199) is 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one is Cc1nc(C(C)Nc2ccc3c(c2)NC(=O)CS3)cs1.
What is the InChIKey of 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one?
The InChIKey is NGRNFMUYKWZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-8(12-6-19-9(2)16-12)15-10-3-4-13-11(5-10)17-14(18)7-20-13/h3-6,8,15H,7H2,1-2H3,(H,17,18).
What are the key properties of 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one?
6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one has a molecular weight of 305.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 43723199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).