3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide

C15H21N3O2S2 — CID 110610116

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
SMILESCOCCCCNC(=O)CCc1sc(N)nc1-c1cccs1
InChIInChI=1S/C15H21N3O2S2/c1-20-9-3-2-8-17-13(19)7-6-12-14(18-15(16)22-12)11-5-4-10-21-11/h4-5,10H,2-3,6-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyWZXJYKJWECQMCP-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.93
Rot. Bonds9

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide (PubChem CID 110610116) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
PubChem CID110610116
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
SMILESCOCCCCNC(=O)CCc1sc(N)nc1-c1cccs1
InChIInChI=1S/C15H21N3O2S2/c1-20-9-3-2-8-17-13(19)7-6-12-14(18-15(16)22-12)11-5-4-10-21-11/h4-5,10H,2-3,6-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyWZXJYKJWECQMCP-UHFFFAOYSA-N
XLogP2.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110627746
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626452
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110412313
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110408416
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110428723
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide
CID 110426528
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110374480
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 28714206
6-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62238827
[2-(3-methoxypropylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
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2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide (CID 110610116) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide is COCCCCNC(=O)CCc1sc(N)nc1-c1cccs1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide?
The InChIKey is WZXJYKJWECQMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-20-9-3-2-8-17-13(19)7-6-12-14(18-15(16)22-12)11-5-4-10-21-11/h4-5,10H,2-3,6-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide has a molecular weight of 339.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide is sourced from PubChem (CID 110610116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).