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

C16H20N4O2S — CID 86804680

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2cc(N3CCOCC3)ccn2)s1
InChIInChI=1S/C16H20N4O2S/c1-11-15(23-12(2)19-11)10-18-16(21)14-9-13(3-4-17-14)20-5-7-22-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyAHWKQYBNLXCIQQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.92
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 86804680) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID86804680
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2cc(N3CCOCC3)ccn2)s1
InChIInChI=1S/C16H20N4O2S/c1-11-15(23-12(2)19-11)10-18-16(21)14-9-13(3-4-17-14)20-5-7-22-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyAHWKQYBNLXCIQQ-UHFFFAOYSA-N
XLogP1.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 86804680) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is Cc1nc(C)c(CNC(=O)c2cc(N3CCOCC3)ccn2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is AHWKQYBNLXCIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-15(23-12(2)19-11)10-18-16(21)14-9-13(3-4-17-14)20-5-7-22-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 86804680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).