(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C8H13N3OS — CID 78974670

IUPAC(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESC[C@@H](N)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C8H13N3OS/c1-6(9)8(12)11(2)3-7-4-13-5-10-7/h4-6H,3,9H2,1-2H3/t6-/m1/s1
InChIKeyBFTWYLFWXVXZPJ-ZCFIWIBFSA-N
MW199.28 g/mol
LogP0.45
Rot. Bonds3

About (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 78974670) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID78974670
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESC[C@@H](N)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C8H13N3OS/c1-6(9)8(12)11(2)3-7-4-13-5-10-7/h4-6H,3,9H2,1-2H3/t6-/m1/s1
InChIKeyBFTWYLFWXVXZPJ-ZCFIWIBFSA-N
XLogP0.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 104908271
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 116677484
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55011796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 78974670) is (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is C[C@@H](N)C(=O)N(C)Cc1cscn1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is BFTWYLFWXVXZPJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6(9)8(12)11(2)3-7-4-13-5-10-7/h4-6H,3,9H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 199.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 78974670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).