2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid

C11H12N2O2S2 — CID 80568782

IUPAC2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(Cc1cccs1)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C11H12N2O2S2/c1-7(5-8-3-2-4-16-8)12-11-13-9(6-17-11)10(14)15/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyLAOWXAIKILTUFA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.95
Rot. Bonds5

About 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid

2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 80568782) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID80568782
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(Cc1cccs1)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C11H12N2O2S2/c1-7(5-8-3-2-4-16-8)12-11-13-9(6-17-11)10(14)15/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyLAOWXAIKILTUFA-UHFFFAOYSA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113307165
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103251827
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 114888224
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid (CID 80568782) is 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid is CC(Cc1cccs1)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LAOWXAIKILTUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-7(5-8-3-2-4-16-8)12-11-13-9(6-17-11)10(14)15/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).