N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide

C21H31N3O2S — CID 110618773

IUPACN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide
SMILESCCN(CC)Cc1csc(CNC(=O)CCCCc2ccc(OC)cc2)n1
InChIInChI=1S/C21H31N3O2S/c1-4-24(5-2)15-18-16-27-21(23-18)14-22-20(25)9-7-6-8-17-10-12-19(26-3)13-11-17/h10-13,16H,4-9,14-15H2,1-3H3,(H,22,25)
InChIKeyLHJJQZSQKULWEN-UHFFFAOYSA-N
MW389.57 g/mol
LogP4.02
Rot. Bonds12

About N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide (PubChem CID 110618773) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide
PubChem CID110618773
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide
SMILESCCN(CC)Cc1csc(CNC(=O)CCCCc2ccc(OC)cc2)n1
InChIInChI=1S/C21H31N3O2S/c1-4-24(5-2)15-18-16-27-21(23-18)14-22-20(25)9-7-6-8-17-10-12-19(26-3)13-11-17/h10-13,16H,4-9,14-15H2,1-3H3,(H,22,25)
InChIKeyLHJJQZSQKULWEN-UHFFFAOYSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.02
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

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110426511
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
N-hydroxy-3-[2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148951442
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
5-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pentanamide
CID 110297825
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305545
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide (CID 110618773) is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide is CCN(CC)Cc1csc(CNC(=O)CCCCc2ccc(OC)cc2)n1.
What is the InChIKey of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide?
The InChIKey is LHJJQZSQKULWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c1-4-24(5-2)15-18-16-27-21(23-18)14-22-20(25)9-7-6-8-17-10-12-19(26-3)13-11-17/h10-13,16H,4-9,14-15H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide?
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide has a molecular weight of 389.57 g/mol, XLogP of 4.02, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110618773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).