2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane

C12H22N2O2S — CID 144892398

IUPAC2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
SMILESCC(C)(Cc1nccs1)NCC(=O)O.CCC
InChIInChI=1S/C9H14N2O2S.C3H8/c1-9(2,11-6-8(12)13)5-7-10-3-4-14-7;1-3-2/h3-4,11H,5-6H2,1-2H3,(H,12,13);3H2,1-2H3
InChIKeyORRDDJOPUKYXGT-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.55
Rot. Bonds5

About 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane

2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane (PubChem CID 144892398) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane.

Molecular Properties

Compound Name2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
PubChem CID144892398
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
SMILESCC(C)(Cc1nccs1)NCC(=O)O.CCC
InChIInChI=1S/C9H14N2O2S.C3H8/c1-9(2,11-6-8(12)13)5-7-10-3-4-14-7;1-3-2/h3-4,11H,5-6H2,1-2H3,(H,12,13);3H2,1-2H3
InChIKeyORRDDJOPUKYXGT-UHFFFAOYSA-N
XLogP2.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 115000886
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814
4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79820463
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane?
The IUPAC name of 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane (CID 144892398) is 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane.
What is the SMILES notation for 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane?
The canonical SMILES for 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane is CC(C)(Cc1nccs1)NCC(=O)O.CCC.
What is the InChIKey of 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane?
The InChIKey is ORRDDJOPUKYXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.C3H8/c1-9(2,11-6-8(12)13)5-7-10-3-4-14-7;1-3-2/h3-4,11H,5-6H2,1-2H3,(H,12,13);3H2,1-2H3.
What are the key properties of 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane?
2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane has a molecular weight of 258.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane is sourced from PubChem (CID 144892398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).