2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C22H24N4O2S2 — CID 29325010

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)c1
InChIInChI=1S/C22H24N4O2S2/c1-15-5-6-19(16(2)12-15)30-21-18(4-3-7-23-21)20(27)25-22-24-17(14-29-22)13-26-8-10-28-11-9-26/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25,27)
InChIKeyLJIIFSRTMSCBCY-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.39
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 29325010) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID29325010
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)c1
InChIInChI=1S/C22H24N4O2S2/c1-15-5-6-19(16(2)12-15)30-21-18(4-3-7-23-21)20(27)25-22-24-17(14-29-22)13-26-8-10-28-11-9-26/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25,27)
InChIKeyLJIIFSRTMSCBCY-UHFFFAOYSA-N
XLogP4.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2-(2,4-dimethylphenyl)sulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 32625665
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 18143752
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29329502
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
CID 32626227
2-(2,5-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24628498
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide
CID 58279154

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 29325010) is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is LJIIFSRTMSCBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-5-6-19(16(2)12-15)30-21-18(4-3-7-23-21)20(27)25-22-24-17(14-29-22)13-26-8-10-28-11-9-26/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 29325010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).