N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide

C17H22N2O2S — CID 134022298

IUPACN,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-9-19(10-4-2)17(20)14-5-7-16(8-6-14)21-11-15-12-22-13-18-15/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyPAZRGBVXUUSGLB-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.98
Rot. Bonds8

About N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide

N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 134022298) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID134022298
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-9-19(10-4-2)17(20)14-5-7-16(8-6-14)21-11-15-12-22-13-18-15/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyPAZRGBVXUUSGLB-UHFFFAOYSA-N
XLogP3.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34907467
N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
CID 5272560
2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 8005655
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86907808
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylbenzamide
CID 42682532
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 111434178

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 134022298) is N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide is CCCN(CCC)C(=O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is PAZRGBVXUUSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-9-19(10-4-2)17(20)14-5-7-16(8-6-14)21-11-15-12-22-13-18-15/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 318.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 134022298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).