5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide

C22H32N4O2S2 — CID 145359600

IUPAC5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide
SMILESCOc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1S(=O)NC1CCNCC1
InChIInChI=1S/C22H32N4O2S2/c1-15-21(29-22(24-15)25-17-6-4-3-5-7-17)16-8-9-19(28-2)20(14-16)30(27)26-18-10-12-23-13-11-18/h8-9,14,17-18,23,26H,3-7,10-13H2,1-2H3,(H,24,25)
InChIKeyWYLLQJAVJZILPM-UHFFFAOYSA-N
MW448.66 g/mol
LogP4.24
Rot. Bonds7

About 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide (PubChem CID 145359600) has the molecular formula C22H32N4O2S2 and a molecular weight of 448.66 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide.

Molecular Properties

Compound Name5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide
PubChem CID145359600
Molecular FormulaC22H32N4O2S2
Molecular Weight448.66 g/mol
Exact Mass448.20
IUPAC Name5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide
SMILESCOc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1S(=O)NC1CCNCC1
InChIInChI=1S/C22H32N4O2S2/c1-15-21(29-22(24-15)25-17-6-4-3-5-7-17)16-8-9-19(28-2)20(14-16)30(27)26-18-10-12-23-13-11-18/h8-9,14,17-18,23,26H,3-7,10-13H2,1-2H3,(H,24,25)
InChIKeyWYLLQJAVJZILPM-UHFFFAOYSA-N
XLogP4.24
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide?
The IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide (CID 145359600) is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide.
What is the SMILES notation for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide?
The canonical SMILES for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide is COc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1S(=O)NC1CCNCC1.
What is the InChIKey of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide?
The InChIKey is WYLLQJAVJZILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S2/c1-15-21(29-22(24-15)25-17-6-4-3-5-7-17)16-8-9-19(28-2)20(14-16)30(27)26-18-10-12-23-13-11-18/h8-9,14,17-18,23,26H,3-7,10-13H2,1-2H3,(H,24,25).
What are the key properties of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide?
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide has a molecular weight of 448.66 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide is sourced from PubChem (CID 145359600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).