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

C17H23N3O2S2 — CID 92581973

IUPAC(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](CN1CCOCC1)C(=O)N[C@@H](Cc1cccs1)c1nccs1
InChIInChI=1S/C17H23N3O2S2/c1-13(12-20-5-7-22-8-6-20)16(21)19-15(17-18-4-10-24-17)11-14-3-2-9-23-14/h2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,19,21)/t13-,15-/m0/s1
InChIKeyTXVADNXWAYOJRG-ZFWWWQNUSA-N
MW365.52 g/mol
LogP2.57
Rot. Bonds7

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

(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide (PubChem CID 92581973) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
PubChem CID92581973
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](CN1CCOCC1)C(=O)N[C@@H](Cc1cccs1)c1nccs1
InChIInChI=1S/C17H23N3O2S2/c1-13(12-20-5-7-22-8-6-20)16(21)19-15(17-18-4-10-24-17)11-14-3-2-9-23-14/h2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,19,21)/t13-,15-/m0/s1
InChIKeyTXVADNXWAYOJRG-ZFWWWQNUSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide (CID 92581973) is (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide is C[C@@H](CN1CCOCC1)C(=O)N[C@@H](Cc1cccs1)c1nccs1.
What is the InChIKey of (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is TXVADNXWAYOJRG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-13(12-20-5-7-22-8-6-20)16(21)19-15(17-18-4-10-24-17)11-14-3-2-9-23-14/h2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,19,21)/t13-,15-/m0/s1.
What are the key properties of (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 365.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 92581973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).