(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

C26H36N4O3S — CID 95084149

IUPAC(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCOCC4)CC3)s2)cc1
InChIInChI=1S/C26H36N4O3S/c1-18-4-6-22(7-5-18)25-28-20(3)23(34-25)26(32)30-11-8-21(9-12-30)19(2)24(31)27-10-13-29-14-16-33-17-15-29/h4-7,19,21H,8-17H2,1-3H3,(H,27,31)/t19-/m0/s1
InChIKeyYFFHDIFLJGHFQM-IBGZPJMESA-N
MW484.67 g/mol
LogP3.36
Rot. Bonds7

About (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 95084149) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID95084149
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC Name(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCOCC4)CC3)s2)cc1
InChIInChI=1S/C26H36N4O3S/c1-18-4-6-22(7-5-18)25-28-20(3)23(34-25)26(32)30-11-8-21(9-12-30)19(2)24(31)27-10-13-29-14-16-33-17-15-29/h4-7,19,21H,8-17H2,1-3H3,(H,27,31)/t19-/m0/s1
InChIKeyYFFHDIFLJGHFQM-IBGZPJMESA-N
XLogP3.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 95084149) is (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCOCC4)CC3)s2)cc1.
What is the InChIKey of (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is YFFHDIFLJGHFQM-IBGZPJMESA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-18-4-6-22(7-5-18)25-28-20(3)23(34-25)26(32)30-11-8-21(9-12-30)19(2)24(31)27-10-13-29-14-16-33-17-15-29/h4-7,19,21H,8-17H2,1-3H3,(H,27,31)/t19-/m0/s1.
What are the key properties of (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 484.67 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 95084149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).