N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide

C18H24N2OS — CID 5272560

IUPACN,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C18H24N2OS/c1-3-5-11-20(12-6-4-2)18(21)16-9-7-15(8-10-16)17-13-22-14-19-17/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyKDKHEKZCTWCEPP-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.85
Rot. Bonds8

About N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide

N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 5272560) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
PubChem CID5272560
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C18H24N2OS/c1-3-5-11-20(12-6-4-2)18(21)16-9-7-15(8-10-16)17-13-22-14-19-17/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyKDKHEKZCTWCEPP-UHFFFAOYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
4-(2-{[(Propylsulfonyl)amino]methyl}-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzamide
CID 73505035
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
N,N-diethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57402288
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139360
2-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473492
N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433336
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-thiazol-2-ylphenyl)ethane-1,2-dione
CID 24996345
4-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344738
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-thiazol-4-ylphenyl)ethane-1,2-dione
CID 44191531

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide (CID 5272560) is N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide is CCCCN(CCCC)C(=O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is KDKHEKZCTWCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-5-11-20(12-6-4-2)18(21)16-9-7-15(8-10-16)17-13-22-14-19-17/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide?
N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 316.47 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 5272560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).