[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium

C17H17ClN3O2S+ — CID 2239728

IUPAC[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1ccco1)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H16ClN3O2S/c18-13-5-3-12(4-6-13)8-15-10-20-17(24-15)21-16(22)11-19-9-14-2-1-7-23-14/h1-7,10,19H,8-9,11H2,(H,20,21,22)/p+1
InChIKeyISKQPQWGYRQVJD-UHFFFAOYSA-O
MW362.86 g/mol
LogP2.68
Rot. Bonds7

About [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium

[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium (PubChem CID 2239728) has the molecular formula C17H17ClN3O2S+ and a molecular weight of 362.86 g/mol. Its IUPAC name is [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium
PubChem CID2239728
Molecular FormulaC17H17ClN3O2S+
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1ccco1)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H16ClN3O2S/c18-13-5-3-12(4-6-13)8-15-10-20-17(24-15)21-16(22)11-19-9-14-2-1-7-23-14/h1-7,10,19H,8-9,11H2,(H,20,21,22)/p+1
InChIKeyISKQPQWGYRQVJD-UHFFFAOYSA-O
XLogP2.68
TPSA71.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium with MolForge

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 3925208
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 24645705
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)acetamide
CID 18808957
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 3997488
N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 26011622
N-[3-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26708433
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26011624
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034977
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2239702

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium (CID 2239728) is [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium is O=C(C[NH2+]Cc1ccco1)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium?
The InChIKey is ISKQPQWGYRQVJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16ClN3O2S/c18-13-5-3-12(4-6-13)8-15-10-20-17(24-15)21-16(22)11-19-9-14-2-1-7-23-14/h1-7,10,19H,8-9,11H2,(H,20,21,22)/p+1.
What are the key properties of [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium?
[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium has a molecular weight of 362.86 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 2239728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).