(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone

C13H20N4OS — CID 116665909

IUPAC(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESNc1nc(N2CCCC2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4OS/c14-11-10(12(18)16-6-2-1-3-7-16)19-13(15-11)17-8-4-5-9-17/h1-9,14H2
InChIKeyHMLYHSZDAVWXAM-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.95
Rot. Bonds2

About (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone

(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 116665909) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID116665909
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESNc1nc(N2CCCC2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4OS/c14-11-10(12(18)16-6-2-1-3-7-16)19-13(15-11)17-8-4-5-9-17/h1-9,14H2
InChIKeyHMLYHSZDAVWXAM-UHFFFAOYSA-N
XLogP1.95
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
(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)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 116665932
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 116669141

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (CID 116665909) is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is Nc1nc(N2CCCC2)sc1C(=O)N1CCCCC1.
What is the InChIKey of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is HMLYHSZDAVWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-11-10(12(18)16-6-2-1-3-7-16)19-13(15-11)17-8-4-5-9-17/h1-9,14H2.
What are the key properties of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 280.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 116665909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).