N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C21H18N2O2S — CID 19213736

IUPACN-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCCCOc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1
InChIInChI=1S/C21H18N2O2S/c1-2-12-25-15-10-11-18-19(13-15)26-21(22-18)23-20(24)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,13H,2,12H2,1H3,(H,22,23,24)
InChIKeyKGCPNKJCUITOGF-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.49
Rot. Bonds5

About N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 19213736) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID19213736
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCCCOc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1
InChIInChI=1S/C21H18N2O2S/c1-2-12-25-15-10-11-18-19(13-15)26-21(22-18)23-20(24)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,13H,2,12H2,1H3,(H,22,23,24)
InChIKeyKGCPNKJCUITOGF-UHFFFAOYSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19213740
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 18854016
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523

Frequently Asked Questions

What is the IUPAC name of N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 19213736) is N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is CCCOc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1.
What is the InChIKey of N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is KGCPNKJCUITOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-12-25-15-10-11-18-19(13-15)26-21(22-18)23-20(24)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,13H,2,12H2,1H3,(H,22,23,24).
What are the key properties of N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 19213736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).