2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

C19H25N3OS — CID 119873569

IUPAC2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCCc1csc(C2CCCN(C(=O)C(N)Cc3ccccc3)C2)n1
InChIInChI=1S/C19H25N3OS/c1-2-16-13-24-18(21-16)15-9-6-10-22(12-15)19(23)17(20)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,2,6,9-12,20H2,1H3
InChIKeySTUUIIBKFDRIIU-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.98
Rot. Bonds5

About 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119873569) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119873569
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCCc1csc(C2CCCN(C(=O)C(N)Cc3ccccc3)C2)n1
InChIInChI=1S/C19H25N3OS/c1-2-16-13-24-18(21-16)15-9-6-10-22(12-15)19(23)17(20)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,2,6,9-12,20H2,1H3
InChIKeySTUUIIBKFDRIIU-UHFFFAOYSA-N
XLogP2.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 86951123
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 95771251
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 119873569) is 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is CCc1csc(C2CCCN(C(=O)C(N)Cc3ccccc3)C2)n1.
What is the InChIKey of 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is STUUIIBKFDRIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-16-13-24-18(21-16)15-9-6-10-22(12-15)19(23)17(20)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,2,6,9-12,20H2,1H3.
What are the key properties of 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 343.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119873569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).