2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide

C19H26N4OS — CID 77088482

IUPAC2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H26N4OS/c1-2-15-17(25-19(20)22-15)18(24)21-13-16(14-9-5-3-6-10-14)23-11-7-4-8-12-23/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3,(H2,20,22)(H,21,24)
InChIKeyXDWQEONCULVIOY-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.24
Rot. Bonds6

About 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide

2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 77088482) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID77088482
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H26N4OS/c1-2-15-17(25-19(20)22-15)18(24)21-13-16(14-9-5-3-6-10-14)23-11-7-4-8-12-23/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3,(H2,20,22)(H,21,24)
InChIKeyXDWQEONCULVIOY-UHFFFAOYSA-N
XLogP3.24
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide
CID 35577406
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43855019
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 77088482) is 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)NCC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XDWQEONCULVIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-15-17(25-19(20)22-15)18(24)21-13-16(14-9-5-3-6-10-14)23-11-7-4-8-12-23/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3,(H2,20,22)(H,21,24).
What are the key properties of 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).