N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide

C21H24N2O2S — CID 41047701

IUPACN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1
InChIInChI=1S/C21H24N2O2S/c1-4-5-6-11-25-17-9-7-16(8-10-17)20(24)23-21-22-18-12-14(2)15(3)13-19(18)26-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23,24)
InChIKeySFVGZJGOJNPCSQ-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.73
Rot. Bonds7

About N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide (PubChem CID 41047701) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
PubChem CID41047701
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1
InChIInChI=1S/C21H24N2O2S/c1-4-5-6-11-25-17-9-7-16(8-10-17)20(24)23-21-22-18-12-14(2)15(3)13-19(18)26-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23,24)
InChIKeySFVGZJGOJNPCSQ-UHFFFAOYSA-N
XLogP5.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-4-hexoxybenzamide
CID 18854021
ethyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4106278
N-(5-nitro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 16850487
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 42387687
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388
N-(4-bromo-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235389
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate
CID 4213659

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
The IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide (CID 41047701) is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1.
What is the InChIKey of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
The InChIKey is SFVGZJGOJNPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-5-6-11-25-17-9-7-16(8-10-17)20(24)23-21-22-18-12-14(2)15(3)13-19(18)26-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23,24).
What are the key properties of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide?
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide has a molecular weight of 368.50 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide is sourced from PubChem (CID 41047701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).