(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide

C22H31N3OS — CID 7361956

IUPAC(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H31N3OS/c1-3-5-9-17(4-2)21(26)23-19-12-10-18(11-13-19)20-16-27-22(24-20)25-14-7-6-8-15-25/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyXEKZKZMBSNQLDL-KRWDZBQOSA-N
MW385.58 g/mol
LogP5.96
Rot. Bonds8

About (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide

(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide (PubChem CID 7361956) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
PubChem CID7361956
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H31N3OS/c1-3-5-9-17(4-2)21(26)23-19-12-10-18(11-13-19)20-16-27-22(24-20)25-14-7-6-8-15-25/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyXEKZKZMBSNQLDL-KRWDZBQOSA-N
XLogP5.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
CID 3976277
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
The IUPAC name of (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide (CID 7361956) is (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide is CCCC[C@H](CC)C(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
The InChIKey is XEKZKZMBSNQLDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-3-5-9-17(4-2)21(26)23-19-12-10-18(11-13-19)20-16-27-22(24-20)25-14-7-6-8-15-25/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide has a molecular weight of 385.58 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide is sourced from PubChem (CID 7361956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).