2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 110436454

IUPAC2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-19-9-5-8-16-15(18)13-11-20-14(17-13)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,18)
InChIKeyUAAORSMGWFELTB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.50
Rot. Bonds7

About 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 110436454) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID110436454
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-19-9-5-8-16-15(18)13-11-20-14(17-13)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,18)
InChIKeyUAAORSMGWFELTB-UHFFFAOYSA-N
XLogP2.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86973043
2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 3277643
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
5-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 120525274
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4991608
2-(2-aminoethyl)-N-[3-(2-phenylethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624379
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide (CID 110436454) is 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide is COCCCNC(=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UAAORSMGWFELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-9-5-8-16-15(18)13-11-20-14(17-13)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110436454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).