2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide

C16H16N2O2S — CID 35871795

IUPAC2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc3c(C)cccc3s2)c1C
InChIInChI=1S/C16H16N2O2S/c1-8-6-5-7-12-14(8)17-16(21-12)18-15(19)13-9(2)10(3)20-11(13)4/h5-7H,1-4H3,(H,17,18,19)
InChIKeyZKTUQRCEDBMUIX-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.38
Rot. Bonds2

About 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide

2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide (PubChem CID 35871795) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
PubChem CID35871795
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc3c(C)cccc3s2)c1C
InChIInChI=1S/C16H16N2O2S/c1-8-6-5-7-12-14(8)17-16(21-12)18-15(19)13-9(2)10(3)20-11(13)4/h5-7H,1-4H3,(H,17,18,19)
InChIKeyZKTUQRCEDBMUIX-UHFFFAOYSA-N
XLogP4.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 3385821
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
(E)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2676132
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18276009

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide (CID 35871795) is 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide is Cc1oc(C)c(C(=O)Nc2nc3c(C)cccc3s2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The InChIKey is ZKTUQRCEDBMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-8-6-5-7-12-14(8)17-16(21-12)18-15(19)13-9(2)10(3)20-11(13)4/h5-7H,1-4H3,(H,17,18,19).
What are the key properties of 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 35871795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).