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

C11H15N3O2S — CID 80569182

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C11H15N3O2S/c15-10(16)9-6-17-11(13-9)12-7-3-4-14(5-7)8-1-2-8/h6-8H,1-5H2,(H,12,13)(H,15,16)
InChIKeyYZQRFODUANFZCM-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.49
Rot. Bonds4

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

2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80569182) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80569182
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C11H15N3O2S/c15-10(16)9-6-17-11(13-9)12-7-3-4-14(5-7)8-1-2-8/h6-8H,1-5H2,(H,12,13)(H,15,16)
InChIKeyYZQRFODUANFZCM-UHFFFAOYSA-N
XLogP1.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568637
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569901
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276900
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide
CID 130979775
N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276901
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488290
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80732536
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 80569182) is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YZQRFODUANFZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-10(16)9-6-17-11(13-9)12-7-3-4-14(5-7)8-1-2-8/h6-8H,1-5H2,(H,12,13)(H,15,16).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 253.33 g/mol, XLogP of 1.49, 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]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80569182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).