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

C19H18N2O2S — CID 97042615

IUPACN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)c1nc2ccccc2s1
InChIInChI=1S/C19H18N2O2S/c22-17(18-21-15-7-3-4-8-16(15)24-18)20-12-19(23)10-9-13-5-1-2-6-14(13)11-19/h1-8,23H,9-12H2,(H,20,22)/t19-/m0/s1
InChIKeyZPKQBXPHDQHQRA-IBGZPJMESA-N
MW338.43 g/mol
LogP2.95
Rot. Bonds3

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

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 97042615) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID97042615
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)c1nc2ccccc2s1
InChIInChI=1S/C19H18N2O2S/c22-17(18-21-15-7-3-4-8-16(15)24-18)20-12-19(23)10-9-13-5-1-2-6-14(13)11-19/h1-8,23H,9-12H2,(H,20,22)/t19-/m0/s1
InChIKeyZPKQBXPHDQHQRA-IBGZPJMESA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazole-2-carboxamide
CID 45504069
N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]tetralin-2-carboxamide
CID 121250174
N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]tetralin-1-carboxamide
CID 121250192
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 56764115
N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)benzo[d]thiazole-2-carboxamide
CID 86267200
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide
CID 97416838
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzo[d]thiazole-2-carboxamide
CID 56764212
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzo[d]thiazole-2-carboxamide
CID 56765445
N-(o-tolylmethyl)-1,3-benzothiazole-2-carboxamide
CID 122182940
N-[(4-tert-butylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122182943
(1S,2S)-2-[2-[7-(1,3-benzothiazol-2-yl)heptyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
CID 18631041
(2R)-2,5-diamino-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]pentanamide
CID 44378278

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide (CID 97042615) is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide is O=C(NC[C@]1(O)CCc2ccccc2C1)c1nc2ccccc2s1.
What is the InChIKey of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is ZPKQBXPHDQHQRA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-17(18-21-15-7-3-4-8-16(15)24-18)20-12-19(23)10-9-13-5-1-2-6-14(13)11-19/h1-8,23H,9-12H2,(H,20,22)/t19-/m0/s1.
What are the key properties of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 97042615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).