(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide

C9H15N3OS — CID 96555462

IUPAC(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)N(C)[C@H](C)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-6(10)9(13)12(3)7(2)8-11-4-5-14-8/h4-7H,10H2,1-3H3/t6-,7+/m0/s1
InChIKeyYWMBHAQABXHFTI-NKWVEPMBSA-N
MW213.31 g/mol
LogP1.01
Rot. Bonds3

About (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide

(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 96555462) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID96555462
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)N(C)[C@H](C)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-6(10)9(13)12(3)7(2)8-11-4-5-14-8/h4-7H,10H2,1-3H3/t6-,7+/m0/s1
InChIKeyYWMBHAQABXHFTI-NKWVEPMBSA-N
XLogP1.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
2-[carboxymethyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 65065646
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 95128802
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 97112090
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide (CID 96555462) is (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide is C[C@H](N)C(=O)N(C)[C@H](C)c1nccs1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is YWMBHAQABXHFTI-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(10)9(13)12(3)7(2)8-11-4-5-14-8/h4-7H,10H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide?
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 213.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 96555462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).