4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C19H20N2OS — CID 4551607

IUPAC4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C19H20N2OS/c1-3-4-7-14-9-11-15(12-10-14)18(22)21-19-20-17-13(2)6-5-8-16(17)23-19/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,21,22)
InChIKeyJRWSSJNVBHRQRN-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.20
Rot. Bonds5

About 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4551607) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID4551607
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C19H20N2OS/c1-3-4-7-14-9-11-15(12-10-14)18(22)21-19-20-17-13(2)6-5-8-16(17)23-19/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,21,22)
InChIKeyJRWSSJNVBHRQRN-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylsulfinylmethyl)benzamide
CID 18138513
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 4551607) is 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is CCCCc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JRWSSJNVBHRQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-4-7-14-9-11-15(12-10-14)18(22)21-19-20-17-13(2)6-5-8-16(17)23-19/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,21,22).
What are the key properties of 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 324.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4551607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).