(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide

C20H27N3OS — CID 7261173

IUPAC(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
SMILESC=CCNc1nc(-c2cccc(NC(=O)[C@H](CC)CCCC)c2)cs1
InChIInChI=1S/C20H27N3OS/c1-4-7-9-15(6-3)19(24)22-17-11-8-10-16(13-17)18-14-25-20(23-18)21-12-5-2/h5,8,10-11,13-15H,2,4,6-7,9,12H2,1,3H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeySFODGRJQPBCAIG-OAHLLOKOSA-N
MW357.52 g/mol
LogP5.56
Rot. Bonds10

About (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide

(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide (PubChem CID 7261173) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
PubChem CID7261173
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
SMILESC=CCNc1nc(-c2cccc(NC(=O)[C@H](CC)CCCC)c2)cs1
InChIInChI=1S/C20H27N3OS/c1-4-7-9-15(6-3)19(24)22-17-11-8-10-16(13-17)18-14-25-20(23-18)21-12-5-2/h5,8,10-11,13-15H,2,4,6-7,9,12H2,1,3H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeySFODGRJQPBCAIG-OAHLLOKOSA-N
XLogP5.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 5100026
(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7415959
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3526553
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
CID 68896503

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide?
The IUPAC name of (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide (CID 7261173) is (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide is C=CCNc1nc(-c2cccc(NC(=O)[C@H](CC)CCCC)c2)cs1.
What is the InChIKey of (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide?
The InChIKey is SFODGRJQPBCAIG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-4-7-9-15(6-3)19(24)22-17-11-8-10-16(13-17)18-14-25-20(23-18)21-12-5-2/h5,8,10-11,13-15H,2,4,6-7,9,12H2,1,3H3,(H,21,23)(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide?
(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide has a molecular weight of 357.52 g/mol, XLogP of 5.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide is sourced from PubChem (CID 7261173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).