3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide

C13H23N3O2S — CID 120654699

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCn1c(C)c(C)sc1=O
InChIInChI=1S/C13H23N3O2S/c1-5-14-9(2)8-15-12(17)6-7-16-10(3)11(4)19-13(16)18/h9,14H,5-8H2,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyAUPOWCSFRIMUAE-SECBINFHSA-N
MW285.41 g/mol
LogP1.03
Rot. Bonds7

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120654699) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120654699
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCn1c(C)c(C)sc1=O
InChIInChI=1S/C13H23N3O2S/c1-5-14-9(2)8-15-12(17)6-7-16-10(3)11(4)19-13(16)18/h9,14H,5-8H2,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyAUPOWCSFRIMUAE-SECBINFHSA-N
XLogP1.03
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide
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3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide
CID 119430533
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
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3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534464
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-yloxypropanamide
CID 120655011
N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
CID 120655173
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3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 63312910
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide
CID 95349181
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120654699) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCn1c(C)c(C)sc1=O.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is AUPOWCSFRIMUAE-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-14-9(2)8-15-12(17)6-7-16-10(3)11(4)19-13(16)18/h9,14H,5-8H2,1-4H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 285.41 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120654699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).