[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone

C17H14N2O2S2 — CID 97053499

IUPAC[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)c2ccccc2S1
InChIInChI=1S/C17H14N2O2S2/c1-11-8-19(14-4-2-3-5-15(14)23-11)17(20)13-10-22-16(18-13)12-6-7-21-9-12/h2-7,9-11H,8H2,1H3/t11-/m0/s1
InChIKeyULVFNIMIZOSQDV-NSHDSACASA-N
MW342.45 g/mol
LogP4.54
Rot. Bonds2

About [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone

[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone (PubChem CID 97053499) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone.

Molecular Properties

Compound Name[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
PubChem CID97053499
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)c2ccccc2S1
InChIInChI=1S/C17H14N2O2S2/c1-11-8-19(14-4-2-3-5-15(14)23-11)17(20)13-10-22-16(18-13)12-6-7-21-9-12/h2-7,9-11H,8H2,1H3/t11-/m0/s1
InChIKeyULVFNIMIZOSQDV-NSHDSACASA-N
XLogP4.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703697
1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 119125746
N,N-dimethyl-4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42897345
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776574
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 126768282
[4-(aminomethyl)piperidin-1-yl]-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119424072
2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120602125
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
(5-chloro-2-methylpyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
CID 97009192
(5-chloro-2-methylpyrimidin-4-yl)-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 71856444

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone?
The IUPAC name of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone (CID 97053499) is [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone.
What is the SMILES notation for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone?
The canonical SMILES for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone is C[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)c2ccccc2S1.
What is the InChIKey of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone?
The InChIKey is ULVFNIMIZOSQDV-NSHDSACASA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-11-8-19(14-4-2-3-5-15(14)23-11)17(20)13-10-22-16(18-13)12-6-7-21-9-12/h2-7,9-11H,8H2,1H3/t11-/m0/s1.
What are the key properties of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone?
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone has a molecular weight of 342.45 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone is sourced from PubChem (CID 97053499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).