N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide

C19H20N4O3S — CID 30040137

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(N4CCOCC4)nc3)o2)cs1
InChIInChI=1S/C19H20N4O3S/c1-13-22-16(12-27-13)17-4-3-15(26-17)11-21-19(24)14-2-5-18(20-10-14)23-6-8-25-9-7-23/h2-5,10,12H,6-9,11H2,1H3,(H,21,24)
InChIKeyNEPWRVCFOFPPJT-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.87
Rot. Bonds5

About N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 30040137) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID30040137
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(N4CCOCC4)nc3)o2)cs1
InChIInChI=1S/C19H20N4O3S/c1-13-22-16(12-27-13)17-4-3-15(26-17)11-21-19(24)14-2-5-18(20-10-14)23-6-8-25-9-7-23/h2-5,10,12H,6-9,11H2,1H3,(H,21,24)
InChIKeyNEPWRVCFOFPPJT-UHFFFAOYSA-N
XLogP2.87
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 30040137) is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(N4CCOCC4)nc3)o2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is NEPWRVCFOFPPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-22-16(12-27-13)17-4-3-15(26-17)11-21-19(24)14-2-5-18(20-10-14)23-6-8-25-9-7-23/h2-5,10,12H,6-9,11H2,1H3,(H,21,24).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 30040137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).