5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid

C11H12N2O2S2 — CID 64630914

IUPAC5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(Cc1ccsc1)Nc1scnc1C(=O)O
InChIInChI=1S/C11H12N2O2S2/c1-7(4-8-2-3-16-5-8)13-10-9(11(14)15)12-6-17-10/h2-3,5-7,13H,4H2,1H3,(H,14,15)
InChIKeyIHBOQENZYSQTPZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.95
Rot. Bonds5

About 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid

5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630914) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630914
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(Cc1ccsc1)Nc1scnc1C(=O)O
InChIInChI=1S/C11H12N2O2S2/c1-7(4-8-2-3-16-5-8)13-10-9(11(14)15)12-6-17-10/h2-3,5-7,13H,4H2,1H3,(H,14,15)
InChIKeyIHBOQENZYSQTPZ-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

5-(6-methylheptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64631302
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62711700
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
2-bromo-3-fluoro-4-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 107540068
4-nitro-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-5-amine
CID 61474630
5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64629293

Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid (CID 64630914) is 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid is CC(Cc1ccsc1)Nc1scnc1C(=O)O.
What is the InChIKey of 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IHBOQENZYSQTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-7(4-8-2-3-16-5-8)13-10-9(11(14)15)12-6-17-10/h2-3,5-7,13H,4H2,1H3,(H,14,15).
What are the key properties of 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
5-(1-thiophen-3-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 5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).