N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C19H23N3O2S — CID 119073958

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCCc3csc(N)n3)coc2c1C
InChIInChI=1S/C19H23N3O2S/c1-11-7-12(2)17-14(9-24-18(17)13(11)3)8-16(23)21-6-4-5-15-10-25-19(20)22-15/h7,9-10H,4-6,8H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyBWOHBMCDWVZTIU-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.69
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 119073958) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID119073958
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCCc3csc(N)n3)coc2c1C
InChIInChI=1S/C19H23N3O2S/c1-11-7-12(2)17-14(9-24-18(17)13(11)3)8-16(23)21-6-4-5-15-10-25-19(20)22-15/h7,9-10H,4-6,8H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyBWOHBMCDWVZTIU-UHFFFAOYSA-N
XLogP3.69
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
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-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 119072091
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55119881
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72920355

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 119073958) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)NCCCc3csc(N)n3)coc2c1C.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is BWOHBMCDWVZTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-7-12(2)17-14(9-24-18(17)13(11)3)8-16(23)21-6-4-5-15-10-25-19(20)22-15/h7,9-10H,4-6,8H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 119073958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).