2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride

C14H19Cl2N5OS — CID 171687472

IUPAC2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCCC1c1cccc(Nc2nccs2)n1
InChIInChI=1S/C14H17N5OS.2ClH/c15-9-13(20)19-7-2-4-11(19)10-3-1-5-12(17-10)18-14-16-6-8-21-14;;/h1,3,5-6,8,11H,2,4,7,9,15H2,(H,16,17,18);2*1H
InChIKeyFPBPISDSXWWKGH-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride

2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride (PubChem CID 171687472) has the molecular formula C14H19Cl2N5OS and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
PubChem CID171687472
Molecular FormulaC14H19Cl2N5OS
Molecular Weight376.31 g/mol
Exact Mass375.07
IUPAC Name2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCCC1c1cccc(Nc2nccs2)n1
InChIInChI=1S/C14H17N5OS.2ClH/c15-9-13(20)19-7-2-4-11(19)10-3-1-5-12(17-10)18-14-16-6-8-21-14;;/h1,3,5-6,8,11H,2,4,7,9,15H2,(H,16,17,18);2*1H
InChIKeyFPBPISDSXWWKGH-UHFFFAOYSA-N
XLogP2.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride with MolForge

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Related Compounds

2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835392
2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95842802
quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835272
2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 124966605
2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110267168
3-(2-methylphenoxy)-1-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124962669
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride (CID 171687472) is 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride is Cl.Cl.NCC(=O)N1CCCC1c1cccc(Nc2nccs2)n1.
What is the InChIKey of 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride?
The InChIKey is FPBPISDSXWWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS.2ClH/c15-9-13(20)19-7-2-4-11(19)10-3-1-5-12(17-10)18-14-16-6-8-21-14;;/h1,3,5-6,8,11H,2,4,7,9,15H2,(H,16,17,18);2*1H.
What are the key properties of 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride?
2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride has a molecular weight of 376.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 171687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).