methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate

C15H16N2O4S — CID 86588851

IUPACmethyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(OC)ccc(C3=CCCCO3)c2s1
InChIInChI=1S/C15H16N2O4S/c1-19-11-7-6-9(10-5-3-4-8-21-10)13-12(11)16-14(22-13)17-15(18)20-2/h5-7H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyNIQACDUUEGIHIY-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.63
Rot. Bonds3

About methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate

methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate (PubChem CID 86588851) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate
PubChem CID86588851
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(OC)ccc(C3=CCCCO3)c2s1
InChIInChI=1S/C15H16N2O4S/c1-19-11-7-6-9(10-5-3-4-8-21-10)13-12(11)16-14(22-13)17-15(18)20-2/h5-7H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyNIQACDUUEGIHIY-UHFFFAOYSA-N
XLogP3.63
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate with MolForge

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Related Compounds

[7-(cyclohexen-1-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid
CID 22719553
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
2-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
CID 22283377
methyl N-[7-(2-bromo-1-hydroxypropyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate
CID 86584928
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
methyl N-[4-methoxy-7-(pyridin-2-ylmethylamino)-1,3-benzothiazol-2-yl]carbamate
CID 86589018
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 56592906
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]morpholine-4-carboxamide
CID 11326842
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655

Frequently Asked Questions

What is the IUPAC name of methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate?
The IUPAC name of methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate (CID 86588851) is methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate is COC(=O)Nc1nc2c(OC)ccc(C3=CCCCO3)c2s1.
What is the InChIKey of methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate?
The InChIKey is NIQACDUUEGIHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-19-11-7-6-9(10-5-3-4-8-21-10)13-12(11)16-14(22-13)17-15(18)20-2/h5-7H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate?
methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate has a molecular weight of 320.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[7-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate is sourced from PubChem (CID 86588851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).