2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid

C8H12N2O2S — CID 126972584

IUPAC2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1ncc(C(C(=O)O)N(C)C)s1
InChIInChI=1S/C8H12N2O2S/c1-5-9-4-6(13-5)7(8(11)12)10(2)3/h4,7H,1-3H3,(H,11,12)
InChIKeyIHNPDOLRKUDLOV-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.14
Rot. Bonds3

About 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid

2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 126972584) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID126972584
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1ncc(C(C(=O)O)N(C)C)s1
InChIInChI=1S/C8H12N2O2S/c1-5-9-4-6(13-5)7(8(11)12)10(2)3/h4,7H,1-3H3,(H,11,12)
InChIKeyIHNPDOLRKUDLOV-UHFFFAOYSA-N
XLogP1.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
(3S)-3-cyclopropyl-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 166025482
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580412
methyl 2-chloro-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580444
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
2-(dimethylamino)-2-pyrazin-2-ylacetic acid
CID 82408477
2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 82372771
(2S)-2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetic acid
CID 129379537
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid (CID 126972584) is 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid is Cc1ncc(C(C(=O)O)N(C)C)s1.
What is the InChIKey of 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is IHNPDOLRKUDLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-9-4-6(13-5)7(8(11)12)10(2)3/h4,7H,1-3H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid?
2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 200.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 126972584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).