N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C21H25N3O2S — CID 119526467

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCC(N)c3ccc(C(C)C)cc3)cs2)o1
InChIInChI=1S/C21H25N3O2S/c1-13(2)15-5-7-16(8-6-15)18(22)11-23-20(25)10-17-12-27-21(24-17)19-9-4-14(3)26-19/h4-9,12-13,18H,10-11,22H2,1-3H3,(H,23,25)
InChIKeyKCVGAQVPOMFNHM-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.19
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119526467) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID119526467
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCC(N)c3ccc(C(C)C)cc3)cs2)o1
InChIInChI=1S/C21H25N3O2S/c1-13(2)15-5-7-16(8-6-15)18(22)11-23-20(25)10-17-12-27-21(24-17)19-9-4-14(3)26-19/h4-9,12-13,18H,10-11,22H2,1-3H3,(H,23,25)
InChIKeyKCVGAQVPOMFNHM-UHFFFAOYSA-N
XLogP4.19
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 34447886
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119526028
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47086910
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 86929464
2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 119526467) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)NCC(N)c3ccc(C(C)C)cc3)cs2)o1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KCVGAQVPOMFNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13(2)15-5-7-16(8-6-15)18(22)11-23-20(25)10-17-12-27-21(24-17)19-9-4-14(3)26-19/h4-9,12-13,18H,10-11,22H2,1-3H3,(H,23,25).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119526467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).