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

C6H10N2O2S — CID 27235629

IUPAC2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
SMILESC[C@@H]1CN=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)/t4-/m1/s1
InChIKeyDUQSHHJZBYIFIF-SCSAIBSYSA-N
MW174.22 g/mol
LogP0.15
Rot. Bonds2

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

2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid (PubChem CID 27235629) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
PubChem CID27235629
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
SMILESC[C@@H]1CN=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)/t4-/m1/s1
InChIKeyDUQSHHJZBYIFIF-SCSAIBSYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
2-(2-Amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetic acid
CID 25630800
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-[[N-(carboxymethyl)-C-methylsulfanylcarbonimidoyl]amino]acetic acid
CID 141352425
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid
CID 4052730
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
CID 4052731
2-[5,6-dihydro-4H-1,3-thiazin-2-yl(methyl)amino]acetic acid
CID 12361618
3-(5-Methyl-1,3-thiazolidin-2-ylidene)-3-azapropanoic acid, chloride
CID 18527632
2-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235631
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 29068218
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 43148977

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid (CID 27235629) is 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid is C[C@@H]1CN=C(NCC(=O)O)S1.
What is the InChIKey of 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid?
The InChIKey is DUQSHHJZBYIFIF-SCSAIBSYSA-N. 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)/t4-/m1/s1.
What are the key properties of 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid?
2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid has a molecular weight of 174.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid is sourced from PubChem (CID 27235629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).