4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide

C18H19N3O2S — CID 86789553

IUPAC4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(C)NCc2csc(-c3ccc(C(N)=O)cc3)n2)o1
InChIInChI=1S/C18H19N3O2S/c1-11-3-8-16(23-11)12(2)20-9-15-10-24-18(21-15)14-6-4-13(5-7-14)17(19)22/h3-8,10,12,20H,9H2,1-2H3,(H2,19,22)
InChIKeyWWQDGCLAONUPKD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.66
Rot. Bonds6

About 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide

4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 86789553) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID86789553
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(C)NCc2csc(-c3ccc(C(N)=O)cc3)n2)o1
InChIInChI=1S/C18H19N3O2S/c1-11-3-8-16(23-11)12(2)20-9-15-10-24-18(21-15)14-6-4-13(5-7-14)17(19)22/h3-8,10,12,20H,9H2,1-2H3,(H2,19,22)
InChIKeyWWQDGCLAONUPKD-UHFFFAOYSA-N
XLogP3.66
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 112772130
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]propanoic acid
CID 120913274
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242352
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-4-methylpentanoate
CID 119165331
2-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]acetic acid
CID 103242341
4-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 95044284
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 17164912

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide (CID 86789553) is 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc(C(C)NCc2csc(-c3ccc(C(N)=O)cc3)n2)o1.
What is the InChIKey of 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WWQDGCLAONUPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-3-8-16(23-11)12(2)20-9-15-10-24-18(21-15)14-6-4-13(5-7-14)17(19)22/h3-8,10,12,20H,9H2,1-2H3,(H2,19,22).
What are the key properties of 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide?
4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 341.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 86789553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).