N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C18H17N3O3S — CID 38592392

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(CC(N)=O)cc3)s2)o1
InChIInChI=1S/C18H17N3O3S/c1-10-3-8-14(24-10)18-20-11(2)16(25-18)17(23)21-13-6-4-12(5-7-13)9-15(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyDMLVKWOUNVTXDQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.30
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 38592392) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID38592392
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(CC(N)=O)cc3)s2)o1
InChIInChI=1S/C18H17N3O3S/c1-10-3-8-14(24-10)18-20-11(2)16(25-18)17(23)21-13-6-4-12(5-7-13)9-15(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyDMLVKWOUNVTXDQ-UHFFFAOYSA-N
XLogP3.30
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide
CID 55676640
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38582896
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38484325
4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 38432031
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119611575
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 38592392) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(CC(N)=O)cc3)s2)o1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DMLVKWOUNVTXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-10-3-8-14(24-10)18-20-11(2)16(25-18)17(23)21-13-6-4-12(5-7-13)9-15(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38592392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).