2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide

C17H29N5O3S — CID 120646246

IUPAC2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)c2csc(CCN)n2)CC1
InChIInChI=1S/C17H29N5O3S/c1-13(16(23)19-6-3-11-25-2)21-7-9-22(10-8-21)17(24)14-12-26-15(20-14)4-5-18/h12-13H,3-11,18H2,1-2H3,(H,19,23)
InChIKeyZKBIJGHRXFJTDT-UHFFFAOYSA-N
MW383.52 g/mol
LogP-0.06
Rot. Bonds9

About 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide

2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 120646246) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID120646246
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Name2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)c2csc(CCN)n2)CC1
InChIInChI=1S/C17H29N5O3S/c1-13(16(23)19-6-3-11-25-2)21-7-9-22(10-8-21)17(24)14-12-26-15(20-14)4-5-18/h12-13H,3-11,18H2,1-2H3,(H,19,23)
InChIKeyZKBIJGHRXFJTDT-UHFFFAOYSA-N
XLogP-0.06
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 120618193
2-(2-aminoethyl)-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161222
2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide
CID 66391059
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 120622878
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66390323

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 120646246) is 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCN(C(=O)c2csc(CCN)n2)CC1.
What is the InChIKey of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZKBIJGHRXFJTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-13(16(23)19-6-3-11-25-2)21-7-9-22(10-8-21)17(24)14-12-26-15(20-14)4-5-18/h12-13H,3-11,18H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 383.52 g/mol, XLogP of -0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 120646246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).