N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

C19H31N5O3S — CID 117080578

IUPACN-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C19H31N5O3S/c25-18(20-3-6-22-7-11-26-12-8-22)17-15-21-19(28-17)24-4-1-16(2-5-24)23-9-13-27-14-10-23/h15-16H,1-14H2,(H,20,25)
InChIKeyZNXSYNHMROJUQQ-UHFFFAOYSA-N
MW409.56 g/mol
LogP0.51
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117080578) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID117080578
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C19H31N5O3S/c25-18(20-3-6-22-7-11-26-12-8-22)17-15-21-19(28-17)24-4-1-16(2-5-24)23-9-13-27-14-10-23/h15-16H,1-14H2,(H,20,25)
InChIKeyZNXSYNHMROJUQQ-UHFFFAOYSA-N
XLogP0.51
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

[1-(5-Carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487944
5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136983866
N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 139263977
2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080482
N-cyclopropyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117081630
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-(2-morpholin-4-ylethyl)-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117082097
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082139
2-(ethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082667
2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 117082836
N-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117083121
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 117083675

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (CID 117080578) is N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(N2CCC(N3CCOCC3)CC2)s1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZNXSYNHMROJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c25-18(20-3-6-22-7-11-26-12-8-22)17-15-21-19(28-17)24-4-1-16(2-5-24)23-9-13-27-14-10-23/h15-16H,1-14H2,(H,20,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).