4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C19H24N2O2S — CID 4216138

IUPAC4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nc3c(s2)CC(C)CC3)cc1
InChIInChI=1S/C19H24N2O2S/c1-3-4-11-23-15-8-6-14(7-9-15)18(22)21-19-20-16-10-5-13(2)12-17(16)24-19/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,21,22)
InChIKeyDOLFQBMAOFKTRN-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.70
Rot. Bonds6

About 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4216138) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID4216138
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nc3c(s2)CC(C)CC3)cc1
InChIInChI=1S/C19H24N2O2S/c1-3-4-11-23-15-8-6-14(7-9-15)18(22)21-19-20-16-10-5-13(2)12-17(16)24-19/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,21,22)
InChIKeyDOLFQBMAOFKTRN-UHFFFAOYSA-N
XLogP4.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.70
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-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
A1AR antagonist 3
CID 129834603
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 3206747

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 4216138) is 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is CCCCOc1ccc(C(=O)Nc2nc3c(s2)CC(C)CC3)cc1.
What is the InChIKey of 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DOLFQBMAOFKTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-4-11-23-15-8-6-14(7-9-15)18(22)21-19-20-16-10-5-13(2)12-17(16)24-19/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,21,22).
What are the key properties of 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 344.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4216138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).