(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H18ClN3O2S — CID 100842922

IUPAC(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O2S/c1-11(15(21)19-16-18-6-9-23-16)20-7-8-22-14(10-20)12-2-4-13(17)5-3-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,18,19,21)/t11-,14+/m0/s1
InChIKeyXMPPVGUWYQXABM-SMDDNHRTSA-N
MW351.86 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 100842922) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID100842922
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O2S/c1-11(15(21)19-16-18-6-9-23-16)20-7-8-22-14(10-20)12-2-4-13(17)5-3-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,18,19,21)/t11-,14+/m0/s1
InChIKeyXMPPVGUWYQXABM-SMDDNHRTSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71928098
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 98791286
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55827029
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47057382
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 100842886
(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 100842888
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 100842922) is (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XMPPVGUWYQXABM-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-11(15(21)19-16-18-6-9-23-16)20-7-8-22-14(10-20)12-2-4-13(17)5-3-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,18,19,21)/t11-,14+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 351.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 100842922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).