3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid

C7H10N2O2S — CID 22081023

IUPAC3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid
SMILESCNc1ncc(CCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-8-7-9-4-5(12-7)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyUNDVBTCTHCJALR-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.20
Rot. Bonds4

About 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid

3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 22081023) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid
PubChem CID22081023
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid
SMILESCNc1ncc(CCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-8-7-9-4-5(12-7)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyUNDVBTCTHCJALR-UHFFFAOYSA-N
XLogP1.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-(((Tert-butoxy)carbonyl)amino)-1,3-thiazol-5-yl)propanoic acid
CID 45117872
methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69336181
methyl 3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69336184
3-[2-(Dimethylamino)-1,3-thiazol-5-yl]-3,3-difluoropropanoic acid
CID 165743189
3-[2-(Dimethylamino)-1,3-thiazol-5-yl]-2,2-difluoropropanoic acid
CID 165838555
3-[2-(Trifluoroacetamido)-1,3-thiazol-5-yl]propanoic acid
CID 165938938
Methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate
CID 1531267
Ethyl 3-(2-acetamido-1,3-thiazol-5-yl)propanoate
CID 10131018
2-Amino-3-(2-amino-1,3-thiazol-5-yl)propanoic acid
CID 18424118
2-[2-(Methylamino)-1,3-thiazol-5-yl]acetic acid
CID 20699083
2-[(2-Amino-1,3-thiazol-5-yl)methyl]propanedioic acid
CID 22036021
2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid (CID 22081023) is 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid is CNc1ncc(CCC(=O)O)s1.
What is the InChIKey of 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is UNDVBTCTHCJALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-8-7-9-4-5(12-7)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid?
3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 22081023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).