4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide

C20H28N4O2S — CID 86867616

IUPAC4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(c1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1)C(C)C
InChIInChI=1S/C20H28N4O2S/c1-4-24(15(2)3)18-7-5-16(6-8-18)19(25)22-20-21-17(14-27-20)13-23-9-11-26-12-10-23/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22,25)
InChIKeyWUXIZUXQRMHOFG-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.46
Rot. Bonds7

About 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide

4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 86867616) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID86867616
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(c1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1)C(C)C
InChIInChI=1S/C20H28N4O2S/c1-4-24(15(2)3)18-7-5-16(6-8-18)19(25)22-20-21-17(14-27-20)13-23-9-11-26-12-10-23/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22,25)
InChIKeyWUXIZUXQRMHOFG-UHFFFAOYSA-N
XLogP3.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 30547847
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-(2-cyanoethylsulfamoyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30548218
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761980
3-(2,5-dimethylpyrrol-1-yl)-4-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 167947490
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 86867616) is 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide is CCN(c1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WUXIZUXQRMHOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-4-24(15(2)3)18-7-5-16(6-8-18)19(25)22-20-21-17(14-27-20)13-23-9-11-26-12-10-23/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22,25).
What are the key properties of 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 388.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 86867616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).