2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

C19H23FN4O3S — CID 4152384

IUPAC2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1csc(NC(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)n1
InChIInChI=1S/C19H23FN4O3S/c1-14-13-28-19(21-14)22-17(25)12-24(7-6-23-8-10-27-11-9-23)18(26)15-4-2-3-5-16(15)20/h2-5,13H,6-12H2,1H3,(H,21,22,25)
InChIKeyIORJANHUSWHHGN-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.00
Rot. Bonds7

About 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 4152384) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID4152384
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1csc(NC(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)n1
InChIInChI=1S/C19H23FN4O3S/c1-14-13-28-19(21-14)22-17(25)12-24(7-6-23-8-10-27-11-9-23)18(26)15-4-2-3-5-16(15)20/h2-5,13H,6-12H2,1H3,(H,21,22,25)
InChIKeyIORJANHUSWHHGN-UHFFFAOYSA-N
XLogP2.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 4278377
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 5112886
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050
N-(2-methoxyethyl)-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 3273597
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 42769972
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 4164205
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 4152384) is 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1csc(NC(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is IORJANHUSWHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-14-13-28-19(21-14)22-17(25)12-24(7-6-23-8-10-27-11-9-23)18(26)15-4-2-3-5-16(15)20/h2-5,13H,6-12H2,1H3,(H,21,22,25).
What are the key properties of 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4152384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).