4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C17H28N4O2S — CID 110387331

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCCC2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H28N4O2S/c1-14-16(17(22)18-5-8-20-9-11-23-12-10-20)24-15(19-14)13-21-6-3-2-4-7-21/h2-13H2,1H3,(H,18,22)
InChIKeyANMNRSPAYNXKCI-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.50
Rot. Bonds6

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

4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387331) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387331
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCCC2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H28N4O2S/c1-14-16(17(22)18-5-8-20-9-11-23-12-10-20)24-15(19-14)13-21-6-3-2-4-7-21/h2-13H2,1H3,(H,18,22)
InChIKeyANMNRSPAYNXKCI-UHFFFAOYSA-N
XLogP1.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 45819446
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 45887866
4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 46981506
4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-5-carboxamide
CID 47035815
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49507163
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53501465
4-methyl-N-(2-piperidin-1-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53501831
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 53504150
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53505856
4-methyl-N-(2-morpholin-4-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53516080
N,N-bis(2-methoxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53524272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387331) is 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCCCC2)sc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ANMNRSPAYNXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-14-16(17(22)18-5-8-20-9-11-23-12-10-20)24-15(19-14)13-21-6-3-2-4-7-21/h2-13H2,1H3,(H,18,22).
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).