4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C18H30N4O2S — CID 46981506

IUPAC4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C18H30N4O2S/c1-14-15(25-17(20-14)21-9-11-24-12-10-21)16(23)19-13-18(2,3)22-7-5-4-6-8-22/h4-13H2,1-3H3,(H,19,23)
InChIKeyGQOBYLNPDZMKPY-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.28
Rot. Bonds5

About 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 46981506) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID46981506
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C18H30N4O2S/c1-14-15(25-17(20-14)21-9-11-24-12-10-21)16(23)19-13-18(2,3)22-7-5-4-6-8-22/h4-13H2,1-3H3,(H,19,23)
InChIKeyGQOBYLNPDZMKPY-UHFFFAOYSA-N
XLogP2.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 46981506) is 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GQOBYLNPDZMKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-14-15(25-17(20-14)21-9-11-24-12-10-21)16(23)19-13-18(2,3)22-7-5-4-6-8-22/h4-13H2,1-3H3,(H,19,23).
What are the key properties of 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46981506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).