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

C20H20N4O2S2 — CID 112795091

IUPACN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCSc1ccc(-c2csc(NC(=O)c3cc(N4CCOCC4)ccn3)n2)cc1
InChIInChI=1S/C20H20N4O2S2/c1-27-16-4-2-14(3-5-16)18-13-28-20(22-18)23-19(25)17-12-15(6-7-21-17)24-8-10-26-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
InChIKeyHJTSHVIFKPSXMN-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.02
Rot. Bonds5

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

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 112795091) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID112795091
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCSc1ccc(-c2csc(NC(=O)c3cc(N4CCOCC4)ccn3)n2)cc1
InChIInChI=1S/C20H20N4O2S2/c1-27-16-4-2-14(3-5-16)18-13-28-20(22-18)23-19(25)17-12-15(6-7-21-17)24-8-10-26-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
InChIKeyHJTSHVIFKPSXMN-UHFFFAOYSA-N
XLogP4.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 112797570
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 46978556
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112802274
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7266948
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 162387018

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 112795091) is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide is CSc1ccc(-c2csc(NC(=O)c3cc(N4CCOCC4)ccn3)n2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is HJTSHVIFKPSXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-27-16-4-2-14(3-5-16)18-13-28-20(22-18)23-19(25)17-12-15(6-7-21-17)24-8-10-26-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,25).
What are the key properties of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 112795091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).