4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C22H29ClN4O3S — CID 51672914

IUPAC4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1
InChIInChI=1S/C22H29ClN4O3S/c1-13(2)19(25-20(28)16-5-7-17(23)8-6-16)21(29)26-22-24-18(12-31-22)11-27-9-14(3)30-15(4)10-27/h5-8,12-15,19H,9-11H2,1-4H3,(H,25,28)(H,24,26,29)/t14-,15-,19-/m1/s1
InChIKeyUSXZOHLGTWWQAQ-SPYBWZPUSA-N
MW465.02 g/mol
LogP3.80
Rot. Bonds7

About 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 51672914) has the molecular formula C22H29ClN4O3S and a molecular weight of 465.02 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID51672914
Molecular FormulaC22H29ClN4O3S
Molecular Weight465.02 g/mol
Exact Mass464.16
IUPAC Name4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1
InChIInChI=1S/C22H29ClN4O3S/c1-13(2)19(25-20(28)16-5-7-17(23)8-6-16)21(29)26-22-24-18(12-31-22)11-27-9-14(3)30-15(4)10-27/h5-8,12-15,19H,9-11H2,1-4H3,(H,25,28)(H,24,26,29)/t14-,15-,19-/m1/s1
InChIKeyUSXZOHLGTWWQAQ-SPYBWZPUSA-N
XLogP3.80
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 30196112
ethyl N-[1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55651859
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 30196289
2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide;dihydrochloride
CID 119840433
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 60572583
4-(difluoromethoxy)-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25487753
(2S)-2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119840500
(2S)-N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 30197433
4-chloro-N-[2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42934456
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 51672914) is 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1.
What is the InChIKey of 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is USXZOHLGTWWQAQ-SPYBWZPUSA-N. The full InChI is InChI=1S/C22H29ClN4O3S/c1-13(2)19(25-20(28)16-5-7-17(23)8-6-16)21(29)26-22-24-18(12-31-22)11-27-9-14(3)30-15(4)10-27/h5-8,12-15,19H,9-11H2,1-4H3,(H,25,28)(H,24,26,29)/t14-,15-,19-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 465.02 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51672914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).