N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C21H21N3O3S — CID 32869689

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1OCc1ccncc1
InChIInChI=1S/C21H21N3O3S/c1-2-26-19-11-16(5-6-18(19)27-12-14-7-9-22-10-8-14)20(25)24-21-23-17(13-28-21)15-3-4-15/h5-11,13,15H,2-4,12H2,1H3,(H,23,24,25)
InChIKeyICSUVTSPAPHFNO-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.65
Rot. Bonds8

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 32869689) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID32869689
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1OCc1ccncc1
InChIInChI=1S/C21H21N3O3S/c1-2-26-19-11-16(5-6-18(19)27-12-14-7-9-22-10-8-14)20(25)24-21-23-17(13-28-21)15-3-4-15/h5-11,13,15H,2-4,12H2,1H3,(H,23,24,25)
InChIKeyICSUVTSPAPHFNO-UHFFFAOYSA-N
XLogP4.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
CID 30798544
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486
3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55814883
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840543
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
CID 81395596
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43066584

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 32869689) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1OCc1ccncc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is ICSUVTSPAPHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-26-19-11-16(5-6-18(19)27-12-14-7-9-22-10-8-14)20(25)24-21-23-17(13-28-21)15-3-4-15/h5-11,13,15H,2-4,12H2,1H3,(H,23,24,25).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 32869689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).