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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Related Compounds

methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697270
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569926
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569182
4-methyl-2-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570173
2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570620
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573187
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570685
2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80732447

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).