2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid

C6H11N2O2S+ — CID 4052730

IUPAC2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid
SMILESCC1C[NH+]=C(NCC(=O)O)S1
InChIInChI=1S/C6H10N2O2S/c1-4-2-7-6(11-4)8-3-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/p+1
InChIKeyDUQSHHJZBYIFIF-UHFFFAOYSA-O
MW175.23 g/mol
LogP-1.77
Rot. Bonds2

About 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid

2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid (PubChem CID 4052730) has the molecular formula C6H11N2O2S+ and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid
PubChem CID4052730
Molecular FormulaC6H11N2O2S+
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Name2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid
SMILESCC1C[NH+]=C(NCC(=O)O)S1
InChIInChI=1S/C6H10N2O2S/c1-4-2-7-6(11-4)8-3-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/p+1
InChIKeyDUQSHHJZBYIFIF-UHFFFAOYSA-O
XLogP-1.77
TPSA63.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Propan-2-ylamino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 89855725
2-(4,5-Dihydro-1,3-thiazol-2-ylamino)acetic acid
CID 115012553
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
CID 4052731
3-(5-Methyl-1,3-thiazolidin-2-ylidene)-3-azapropanoic acid, chloride
CID 18527632
2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235629
2-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235631
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 43439915
2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid
CID 115014306

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid (CID 4052730) is 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid is CC1C[NH+]=C(NCC(=O)O)S1.
What is the InChIKey of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid?
The InChIKey is DUQSHHJZBYIFIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2O2S/c1-4-2-7-6(11-4)8-3-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/p+1.
What are the key properties of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid?
2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid has a molecular weight of 175.23 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid is sourced from PubChem (CID 4052730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).