2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

C12H17N3O2S — CID 80569901

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC2CCN(C3CC3)C2)sc1C(=O)O
InChIInChI=1S/C12H17N3O2S/c1-7-10(11(16)17)18-12(13-7)14-8-4-5-15(6-8)9-2-3-9/h8-9H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyGGFNVDWHBLFQOU-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.80
Rot. Bonds4

About 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80569901) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80569901
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC2CCN(C3CC3)C2)sc1C(=O)O
InChIInChI=1S/C12H17N3O2S/c1-7-10(11(16)17)18-12(13-7)14-8-4-5-15(6-8)9-2-3-9/h8-9H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyGGFNVDWHBLFQOU-UHFFFAOYSA-N
XLogP1.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80569901) is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC2CCN(C3CC3)C2)sc1C(=O)O.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GGFNVDWHBLFQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7-10(11(16)17)18-12(13-7)14-8-4-5-15(6-8)9-2-3-9/h8-9H,2-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80569901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).