N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

C14H23N3O2S — CID 110386565

IUPACN-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOCCCNC(=O)Cc1csc(CN2CCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-19-8-4-5-15-13(18)9-12-11-20-14(16-12)10-17-6-2-3-7-17/h11H,2-10H2,1H3,(H,15,18)
InChIKeyBVZORTHOMRAPKQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.43
Rot. Bonds8

About N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386565) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110386565
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOCCCNC(=O)Cc1csc(CN2CCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-19-8-4-5-15-13(18)9-12-11-20-14(16-12)10-17-6-2-3-7-17/h11H,2-10H2,1H3,(H,15,18)
InChIKeyBVZORTHOMRAPKQ-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386823
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
N-[2-(3-chlorophenyl)ethyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386888
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
CID 86832223
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 143940582

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 110386565) is N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is COCCCNC(=O)Cc1csc(CN2CCCC2)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is BVZORTHOMRAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-19-8-4-5-15-13(18)9-12-11-20-14(16-12)10-17-6-2-3-7-17/h11H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).