2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid

C9H14N2O2S — CID 65226722

IUPAC2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1nc(C)cs1)C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-3-7(8(12)13)4-10-9-11-6(2)5-14-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyBBDLWZZYSCHEAL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.97
Rot. Bonds5

About 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid

2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid (PubChem CID 65226722) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
PubChem CID65226722
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1nc(C)cs1)C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-3-7(8(12)13)4-10-9-11-6(2)5-14-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyBBDLWZZYSCHEAL-UHFFFAOYSA-N
XLogP1.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460
2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
CID 65224618
2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
CID 79398970
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 65225533
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-[(pyrimidin-2-ylamino)methyl]butanoic acid
CID 65226732

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid (CID 65226722) is 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid is CCC(CNc1nc(C)cs1)C(=O)O.
What is the InChIKey of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid?
The InChIKey is BBDLWZZYSCHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7(8(12)13)4-10-9-11-6(2)5-14-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid?
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).