2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

C12H18N2O2S — CID 114358547

IUPAC2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)C(N)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)9(13)10-14-7(6-4-5-6)8(17-10)11(15)16/h6,9H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyLWVWGDVONSEDEU-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.76
Rot. Bonds3

About 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358547) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID114358547
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)C(N)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)9(13)10-14-7(6-4-5-6)8(17-10)11(15)16/h6,9H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyLWVWGDVONSEDEU-UHFFFAOYSA-N
XLogP2.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358418
2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114358550
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422046
4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 82436995
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 105471885
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 114360159

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 114358547) is 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is CC(C)(C)C(N)c1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LWVWGDVONSEDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,3)9(13)10-14-7(6-4-5-6)8(17-10)11(15)16/h6,9H,4-5,13H2,1-3H3,(H,15,16).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).