N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide

C20H20N2O3S — CID 86267200

IUPACN-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc2c(c1)CCCC2(O)CNC(=O)c1nc2ccccc2s1
InChIInChI=1S/C20H20N2O3S/c1-25-14-8-9-15-13(11-14)5-4-10-20(15,24)12-21-18(23)19-22-16-6-2-3-7-17(16)26-19/h2-3,6-9,11,24H,4-5,10,12H2,1H3,(H,21,23)
InChIKeyBKDLPTROGFMDEY-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.26
Rot. Bonds4

About N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 86267200) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID86267200
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc2c(c1)CCCC2(O)CNC(=O)c1nc2ccccc2s1
InChIInChI=1S/C20H20N2O3S/c1-25-14-8-9-15-13(11-14)5-4-10-20(15,24)12-21-18(23)19-22-16-6-2-3-7-17(16)26-19/h2-3,6-9,11,24H,4-5,10,12H2,1H3,(H,21,23)
InChIKeyBKDLPTROGFMDEY-UHFFFAOYSA-N
XLogP3.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide with MolForge

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Related Compounds

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CID 177375453
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CID 177375454
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CID 177375458
CID 177375458
CID 177375459
CID 177375459
CID 177375460
CID 177375460
CID 177375461
CID 177375461
CID 177375463
CID 177375463
CID 177654702
CID 177654702
CID 71693897
CID 71693897
CID 23654369
CID 23654369

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide (CID 86267200) is N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide is COc1ccc2c(c1)CCCC2(O)CNC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is BKDLPTROGFMDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-14-8-9-15-13(11-14)5-4-10-20(15,24)12-21-18(23)19-22-16-6-2-3-7-17(16)26-19/h2-3,6-9,11,24H,4-5,10,12H2,1H3,(H,21,23).
What are the key properties of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide?
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 86267200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).