2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid

C9H14N2O2S — CID 66568739

IUPAC2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1cncs1
InChIInChI=1S/C9H14N2O2S/c1-7(2)11(5-9(12)13)4-8-3-10-6-14-8/h3,6-7H,4-5H2,1-2H3,(H,12,13)
InChIKeyDUDBOMSCZZEZOC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.44
Rot. Bonds5

About 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid

2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid (PubChem CID 66568739) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid
PubChem CID66568739
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1cncs1
InChIInChI=1S/C9H14N2O2S/c1-7(2)11(5-9(12)13)4-8-3-10-6-14-8/h3,6-7H,4-5H2,1-2H3,(H,12,13)
InChIKeyDUDBOMSCZZEZOC-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl(1,3-thiazol-5-ylmethyl)carbamic acid
CID 70246505
methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate
CID 112548860
3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)amino]methylamino]butanoic acid
CID 145463170
2-(1,3-thiazol-5-ylmethylsulfinyl)propanoic acid
CID 112643655
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetic acid
CID 60839641
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid
CID 60839851
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 106889510
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid (CID 66568739) is 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid is CC(C)N(CC(=O)O)Cc1cncs1.
What is the InChIKey of 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid?
The InChIKey is DUDBOMSCZZEZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(2)11(5-9(12)13)4-8-3-10-6-14-8/h3,6-7H,4-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid?
2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid has a molecular weight of 214.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(1,3-thiazol-5-ylmethyl)amino]acetic acid is sourced from PubChem (CID 66568739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).