[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone

C20H27N3O3S — CID 119661713

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCC(OCCCN)CC3)cs2)cc1
InChIInChI=1S/C20H27N3O3S/c1-2-25-16-6-4-15(5-7-16)19-22-18(14-27-19)20(24)23-11-8-17(9-12-23)26-13-3-10-21/h4-7,14,17H,2-3,8-13,21H2,1H3
InChIKeyKDTJYCBUFJIGGC-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.18
Rot. Bonds8

About [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone

[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 119661713) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID119661713
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCC(OCCCN)CC3)cs2)cc1
InChIInChI=1S/C20H27N3O3S/c1-2-25-16-6-4-15(5-7-16)19-22-18(14-27-19)20(24)23-11-8-17(9-12-23)26-13-3-10-21/h4-7,14,17H,2-3,8-13,21H2,1H3
InChIKeyKDTJYCBUFJIGGC-UHFFFAOYSA-N
XLogP3.18
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 75463650
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119646207
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 120659131
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394984
[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55618001

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 119661713) is [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone is CCOc1ccc(-c2nc(C(=O)N3CCC(OCCCN)CC3)cs2)cc1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is KDTJYCBUFJIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-2-25-16-6-4-15(5-7-16)19-22-18(14-27-19)20(24)23-11-8-17(9-12-23)26-13-3-10-21/h4-7,14,17H,2-3,8-13,21H2,1H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 389.52 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 119661713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).