(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C15H21N3O2S — CID 124614367

IUPAC(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)sc2C)on1
InChIInChI=1S/C15H21N3O2S/c1-8-6-14(20-18-8)17-15(19)11(4)16-10(3)13-7-9(2)21-12(13)5/h6-7,10-11,16H,1-5H3,(H,17,19)/t10-,11-/m0/s1
InChIKeyNGDWPMZZRSYLBP-QWRGUYRKSA-N
MW307.42 g/mol
LogP3.34
Rot. Bonds5

About (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 124614367) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID124614367
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)sc2C)on1
InChIInChI=1S/C15H21N3O2S/c1-8-6-14(20-18-8)17-15(19)11(4)16-10(3)13-7-9(2)21-12(13)5/h6-7,10-11,16H,1-5H3,(H,17,19)/t10-,11-/m0/s1
InChIKeyNGDWPMZZRSYLBP-QWRGUYRKSA-N
XLogP3.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94180754
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52526891
tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 66338499
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
CID 97069594
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide
CID 112825969
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 124614367) is (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)sc2C)on1.
What is the InChIKey of (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is NGDWPMZZRSYLBP-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-8-6-14(20-18-8)17-15(19)11(4)16-10(3)13-7-9(2)21-12(13)5/h6-7,10-11,16H,1-5H3,(H,17,19)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 124614367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).