2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide

C17H17N3O2S — CID 121122150

IUPAC2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc(-c3cccnc3)nc2C)c(C)o1
InChIInChI=1S/C17H17N3O2S/c1-10-7-14(12(3)22-10)16(21)19-9-15-11(2)20-17(23-15)13-5-4-6-18-8-13/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyMMIMWORNABXOED-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.65
Rot. Bonds4

About 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide (PubChem CID 121122150) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
PubChem CID121122150
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc(-c3cccnc3)nc2C)c(C)o1
InChIInChI=1S/C17H17N3O2S/c1-10-7-14(12(3)22-10)16(21)19-9-15-11(2)20-17(23-15)13-5-4-6-18-8-13/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyMMIMWORNABXOED-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide with MolForge

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Related Compounds

2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-1H-indole-6-carboxamide
CID 121122278
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide
CID 121122034
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122163
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide
CID 51205140
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
CID 121122040
2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122101

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide (CID 121122150) is 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2sc(-c3cccnc3)nc2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The InChIKey is MMIMWORNABXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-7-14(12(3)22-10)16(21)19-9-15-11(2)20-17(23-15)13-5-4-6-18-8-13/h4-8H,9H2,1-3H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 121122150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).