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

C12H20N2O2S — CID 114358550

IUPAC2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C(N)C(C)(C)C)sc1C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-6(2)7-8(11(15)16)17-10(14-7)9(13)12(3,4)5/h6,9H,13H2,1-5H3,(H,15,16)
InChIKeyVACQCVQEAIEXDS-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.01
Rot. Bonds3

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

2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358550) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID114358550
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C(N)C(C)(C)C)sc1C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-6(2)7-8(11(15)16)17-10(14-7)9(13)12(3,4)5/h6,9H,13H2,1-5H3,(H,15,16)
InChIKeyVACQCVQEAIEXDS-UHFFFAOYSA-N
XLogP3.01
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminobutyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114358432
2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359862
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422046
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82545842
2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359771
2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 79393186
2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226430
4-propan-2-yl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79393407
4-(4-tert-butylphenyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226739

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 114358550) is 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(C(N)C(C)(C)C)sc1C(=O)O.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VACQCVQEAIEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-6(2)7-8(11(15)16)17-10(14-7)9(13)12(3,4)5/h6,9H,13H2,1-5H3,(H,15,16).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.37 g/mol, XLogP of 3.01, 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-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).