(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone

C15H24N4OS — CID 116669483

IUPAC(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C15H24N4OS/c1-2-11-7-3-4-10-19(11)14(20)12-13(16)17-15(21-12)18-8-5-6-9-18/h11H,2-10,16H2,1H3
InChIKeyPGWGMPKNXZODDR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.73
Rot. Bonds3

About (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone

(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 116669483) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID116669483
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C15H24N4OS/c1-2-11-7-3-4-10-19(11)14(20)12-13(16)17-15(21-12)18-8-5-6-9-18/h11H,2-10,16H2,1H3
InChIKeyPGWGMPKNXZODDR-UHFFFAOYSA-N
XLogP2.73
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
CID 116673045
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 116669141
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(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)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 116663088
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 116665932
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
propyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 116674041

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone (CID 116669483) is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is PGWGMPKNXZODDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-11-7-3-4-10-19(11)14(20)12-13(16)17-15(21-12)18-8-5-6-9-18/h11H,2-10,16H2,1H3.
What are the key properties of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone?
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.73, 3 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)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 116669483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).