4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C17H16N2O2S — CID 39886558

IUPAC4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1
InChIInChI=1S/C17H16N2O2S/c1-10-5-4-6-13(9-10)19-16(20)15-12(3)18-17(22-15)14-8-7-11(2)21-14/h4-9H,1-3H3,(H,19,20)
InChIKeyDPIMBZWTVNBIHU-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.58
Rot. Bonds3

About 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 39886558) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID39886558
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1
InChIInChI=1S/C17H16N2O2S/c1-10-5-4-6-13(9-10)19-16(20)15-12(3)18-17(22-15)14-8-7-11(2)21-14/h4-9H,1-3H3,(H,19,20)
InChIKeyDPIMBZWTVNBIHU-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38582896
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-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 46436507
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392
4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide
CID 55676640
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38484325
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
N-(1H-indazol-7-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38487420
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 39886558) is 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DPIMBZWTVNBIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-5-4-6-13(9-10)19-16(20)15-12(3)18-17(22-15)14-8-7-11(2)21-14/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39886558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).