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

C15H13N3O2S — CID 53158272

IUPACN-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccncc3)cs2)o1
InChIInChI=1S/C15H13N3O2S/c1-10-2-3-12(20-10)8-17-14(19)15-18-13(9-21-15)11-4-6-16-7-5-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyJUVBOQGEHLAOQM-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.04
Rot. Bonds4

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

N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide (PubChem CID 53158272) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
PubChem CID53158272
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccncc3)cs2)o1
InChIInChI=1S/C15H13N3O2S/c1-10-2-3-12(20-10)8-17-14(19)15-18-13(9-21-15)11-4-6-16-7-5-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyJUVBOQGEHLAOQM-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71819739
ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616970
4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide
CID 53190310
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide (CID 53158272) is N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3ccncc3)cs2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The InChIKey is JUVBOQGEHLAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-2-3-12(20-10)8-17-14(19)15-18-13(9-21-15)11-4-6-16-7-5-11/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53158272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).