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

C21H29N3OS — CID 7411488

IUPAC(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1
InChIInChI=1S/C21H29N3OS/c1-3-5-9-16(4-2)20(25)22-18-11-8-10-17(14-18)19-15-26-21(23-19)24-12-6-7-13-24/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyMTEAPWRFINHHNL-INIZCTEOSA-N
MW371.55 g/mol
LogP5.57
Rot. Bonds8

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

(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide (PubChem CID 7411488) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
PubChem CID7411488
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1
InChIInChI=1S/C21H29N3OS/c1-3-5-9-16(4-2)20(25)22-18-11-8-10-17(14-18)19-15-26-21(23-19)24-12-6-7-13-24/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyMTEAPWRFINHHNL-INIZCTEOSA-N
XLogP5.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
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(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
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N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
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3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
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(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
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2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
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(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
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(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
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4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
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3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
The IUPAC name of (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide (CID 7411488) is (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide is CCCC[C@H](CC)C(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1.
What is the InChIKey of (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
The InChIKey is MTEAPWRFINHHNL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-3-5-9-16(4-2)20(25)22-18-11-8-10-17(14-18)19-15-26-21(23-19)24-12-6-7-13-24/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide?
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide has a molecular weight of 371.55 g/mol, XLogP of 5.57, 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-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide is sourced from PubChem (CID 7411488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).