2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C17H17N3O2S — CID 78870009

IUPAC2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2csc(-c3ccc(C)o3)n2)c(C)n1
InChIInChI=1S/C17H17N3O2S/c1-9-7-10(2)18-12(4)15(9)20-16(21)13-8-23-17(19-13)14-6-5-11(3)22-14/h5-8H,1-4H3,(H,20,21)
InChIKeyMHPATNQCOTWISD-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 78870009) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID78870009
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2csc(-c3ccc(C)o3)n2)c(C)n1
InChIInChI=1S/C17H17N3O2S/c1-9-7-10(2)18-12(4)15(9)20-16(21)13-8-23-17(19-13)14-6-5-11(3)22-14/h5-8H,1-4H3,(H,20,21)
InChIKeyMHPATNQCOTWISD-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78861131
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 86982381
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 111482189
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 78869532
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 78870009) is 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2csc(-c3ccc(C)o3)n2)c(C)n1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MHPATNQCOTWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-9-7-10(2)18-12(4)15(9)20-16(21)13-8-23-17(19-13)14-6-5-11(3)22-14/h5-8H,1-4H3,(H,20,21).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78870009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).