2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

C13H14N2O2S — CID 62757978

IUPAC2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCN(Cc1ccco1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C13H14N2O2S/c1-15(8-9-4-3-7-17-9)13-14-10-5-2-6-11(16)12(10)18-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyVPKXMZFYLMWVFI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.89
Rot. Bonds3

About 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 62757978) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID62757978
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCN(Cc1ccco1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C13H14N2O2S/c1-15(8-9-4-3-7-17-9)13-14-10-5-2-6-11(16)12(10)18-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyVPKXMZFYLMWVFI-UHFFFAOYSA-N
XLogP2.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62750142
2-[methyl(oxan-4-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63707013
2-[furan-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977445
4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 78979678
2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62985465
N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 130677953
2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753529
2-(2-methylpyrimidin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 115528147
N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55112489
2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63941076
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976338
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 62757978) is 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CN(Cc1ccco1)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is VPKXMZFYLMWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(8-9-4-3-7-17-9)13-14-10-5-2-6-11(16)12(10)18-13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 262.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 62757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).