N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C22H26N2O2S — CID 34447886

IUPACN-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(C(C)C)cc3C(C)C)cs2)o1
InChIInChI=1S/C22H26N2O2S/c1-13(2)16-7-8-19(18(10-16)14(3)4)24-21(25)11-17-12-27-22(23-17)20-9-6-15(5)26-20/h6-10,12-14H,11H2,1-5H3,(H,24,25)
InChIKeyUILRZSAJBRZNCL-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.14
Rot. Bonds6

About N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 34447886) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID34447886
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(C(C)C)cc3C(C)C)cs2)o1
InChIInChI=1S/C22H26N2O2S/c1-13(2)16-7-8-19(18(10-16)14(3)4)24-21(25)11-17-12-27-22(23-17)20-9-6-15(5)26-20/h6-10,12-14H,11H2,1-5H3,(H,24,25)
InChIKeyUILRZSAJBRZNCL-UHFFFAOYSA-N
XLogP6.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,4-di(propan-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46436542
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119526467
N-(4-bromo-2-fluorophenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39089077
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 55889197
N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606293
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46417790
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8714383

Frequently Asked Questions

What is the IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 34447886) is N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3ccc(C(C)C)cc3C(C)C)cs2)o1.
What is the InChIKey of N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UILRZSAJBRZNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-13(2)16-7-8-19(18(10-16)14(3)4)24-21(25)11-17-12-27-22(23-17)20-9-6-15(5)26-20/h6-10,12-14H,11H2,1-5H3,(H,24,25).
What are the key properties of N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 34447886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).