[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C13H21N5OS — CID 116667403

IUPAC[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(N2CCC(N)CC2)sc1C(=O)N1CCCC1
InChIInChI=1S/C13H21N5OS/c14-9-3-7-18(8-4-9)13-16-11(15)10(20-13)12(19)17-5-1-2-6-17/h9H,1-8,14-15H2
InChIKeyQEYQYUGIIRFGSK-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.89
Rot. Bonds2

About [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 116667403) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID116667403
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(N2CCC(N)CC2)sc1C(=O)N1CCCC1
InChIInChI=1S/C13H21N5OS/c14-9-3-7-18(8-4-9)13-16-11(15)10(20-13)12(19)17-5-1-2-6-17/h9H,1-8,14-15H2
InChIKeyQEYQYUGIIRFGSK-UHFFFAOYSA-N
XLogP0.89
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 116667593
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 116665678
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
4-amino-N-(2-aminoethyl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116662899
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 116669141
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667664

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 116667403) is [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is Nc1nc(N2CCC(N)CC2)sc1C(=O)N1CCCC1.
What is the InChIKey of [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QEYQYUGIIRFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c14-9-3-7-18(8-4-9)13-16-11(15)10(20-13)12(19)17-5-1-2-6-17/h9H,1-8,14-15H2.
What are the key properties of [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 295.41 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 116667403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).